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Name |
trans-4-[4-[[[5-[(3,4-Difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid |
EINECS | N/A |
CAS No. | 892489-52-0 | Density | 1.402 g/cm3 |
PSA | 117.35000 | LogP | 5.23820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H22F2N4O4 | Boiling Point | N/A |
Molecular Weight | 456.449 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(trans-4-;cyclohexa;LogP |
Article Data | 1 |
The cas register number of trans-4-[4-[[[5-[(3,4-Difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid is 892489-52-0. The Systematic name about this chemical is 2-[4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid.
Physical properties about trans-4-[4-[[[5-[(3,4-Difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid are: (1)ACD/LogP: 4.82; (2)ACD/LogD (pH 5.5): 3.97; (3)ACD/LogD (pH 7.4): 2.17; (4)#H bond acceptors: 8 #H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 117.35Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 115.42 cm3; (9)Molar Volume: 325.4 cm3; (10)Polarizability: 45.75x10-24cm3; (11)Surface Tension: 60.8 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C2CCC(CC2)CC(=O)O)NC(=O)c3nnc(o3)Nc4ccc(c(c4)F)F
(2)InChI: InChI=1/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
(3)InChIKey: NGEBYTLALFOQKI-HDJSIYSDBG
(4)Std. InChI: InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-
(5)Std. InChIKey: NGEBYTLALFOQKI-HDJSIYSDSA-N