N-(2-chloro-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M060-0347 |
Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
Molecular Weight: | 442.92 |
Molecular Formula: | C21 H19 Cl N4 O3 S |
Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
Stereo: | ACHIRAL |
logP: | 3.7113 |
logD: | 3.71 |
logSw: | -3.9244 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.212 |
InChI Key: | ILOOFCXJQBHXIB-UHFFFAOYSA-N |