N-(5-chloro-2-methoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0158 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1cc(ccc1OC)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.1007 |
| logD: | 4.0947 |
| logSw: | -4.5094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.582 |
| InChI Key: | BNTZPOMXNCQFDR-UHFFFAOYSA-N |