N-(2-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M060-0514 |
Compound Name: | N-(2-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
Molecular Weight: | 398.87 |
Molecular Formula: | C19 H15 Cl N4 O2 S |
Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccccc1[Cl])=O)[nH]2 |
Stereo: | ACHIRAL |
logP: | 3.4689 |
logD: | 3.4676 |
logSw: | -3.6419 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.495 |
InChI Key: | UVIPTRJIXQHGDI-UHFFFAOYSA-N |