N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M060-0179 |
Compound Name: | N-(4-acetylphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
Molecular Weight: | 390.46 |
Molecular Formula: | C21 H18 N4 O2 S |
Smiles: | CC(c1ccc(cc1)NC(CSc1c2c(c3cc(C)ccc3[nH]2)ncn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3899 |
logD: | 3.3878 |
logSw: | -3.6943 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 67.476 |
InChI Key: | LCXMQENXHCXHIS-UHFFFAOYSA-N |