N-[(4-methylphenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0020 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1ccc(CNC(CSc2c3c(c4ccccc4[nH]3)ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4837 |
| logD: | 3.4828 |
| logSw: | -3.7655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | VAAWBKBQEOAVNP-UHFFFAOYSA-N |