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| CAS No.: | 1002304-34-8 |
|---|---|
| Name: | AMG-208 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C22H17N5O2 |
| Molecular Weight: | 383.4 |
| Synonyms: | AMG 208 |
| Density: | 1.34 g/cm3 |
| PSA: | 74.43000 |
| LogP: | 3.92710 |
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Specification
The AMG208, with its CAS registry number 1002304-34-8, has the systematic name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[3,4-f]pyridazin-3-yl)methoxy]quinoline. And it has the molecular formula of C22H17N5O2.
The characteristics of AMG208 are as follows: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 4.01; (5)#H bond acceptors: 7; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 74.43 Å2; (9)Index of Refraction: 1.696; (10)Molar Refractivity: 109.95 cm3; (11)Molar Volume: 285.7 cm3; (12)Polarizability: 43.59×10-24cm3; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.34 g/cm3.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5
(2)InChI:InChI=1/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
(3)InChIKey:HEAIZQNMNCHNFD-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
(5)Std. InChIKey:HEAIZQNMNCHNFD-UHFFFAOYSA-N