N-(3-chloro-4-methoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0560 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C20 H17 Cl N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc(c(c1)[Cl])OC)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9287 |
| logD: | 3.9272 |
| logSw: | -4.3462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.823 |
| InChI Key: | RLGUUQGOPYXPGJ-UHFFFAOYSA-N |