N-(3-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0526 |
| Compound Name: | N-(3-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(Nc1cccc(c1)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.1717 |
| logD: | 4.1704 |
| logSw: | -4.4923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.193 |
| InChI Key: | KRLITZHMRFWJFV-UHFFFAOYSA-N |