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910634-41-2

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Basic Information
CAS No.: 910634-41-2
Name: (-)-N-[4-(2,2-Dimethylpropanoyl)-5-[[2-(ethylamino)ethanesulfonamido]methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
Article Data: 5
Molecular Structure:
Molecular Structure of 910634-41-2 ((-)-N-[4-(2,2-Dimethylpropanoyl)-5-[[2-(ethylamino)ethanesulfonamido]methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide)
Formula: C23H37N5O4S2
Molecular Weight: 511.71
Synonyms: Litronesib;Litronesib (USAN/INN);UNII-6611F8KYCV;Litronesib [USAN];
Density: 1.23 g/cm3
PSA: 157.14000
LogP: 4.49950
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Specification

The cas number of the (-)-N-[4-(2,2-Dimethylpropanoyl)-5-[[2-(ethylamino)ethanesulfonamido]methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is 910634-41-2. Its molecular formula is C23H37N5O4S2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.14; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 24.21; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 127.28 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 139.19 cm3; (15)Molar Volume: 414.4 cm3; (16)Polarizability: 55.18×10-24cm3; (17)Surface Tension: 46.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(NCC1(S\C(=N/N1C(=O)C(C)(C)C)NC(=O)C(C)(C)C)c2ccccc2)CCNCC
(2)InChI: InChI=1/C23H37N5O4S2/c1-8-24-14-15-34(31,32)25-16-23(17-12-10-9-11-13-17)28(19(30)22(5,6)7)27-20(33-23)26-18(29)21(2,3)4/h9-13,24-25H,8,14-16H2,1-7H3,(H,26,27,29)
(3)InChIKey: YVAFBXLHPINSIK-UHFFFAOYAZ