N-[(2-chlorophenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(2-chlorophenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0110 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(NCc1ccccc1[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.3111 |
| logD: | 4.3093 |
| logSw: | -4.3886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | HETGSYDEWPQBFI-UHFFFAOYSA-N |