N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0125 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1ccc(CNC(CSc2c3c(c4cc(C)ccc4[nH]3)ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9525 |
| logD: | 3.9507 |
| logSw: | -3.9568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | OPJBEDCOFKASCH-UHFFFAOYSA-N |