N-(3-chloro-4-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0340 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C21 H19 Cl N4 O4 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccc(c(c3)[Cl])OC)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4981 |
| logD: | 3.4967 |
| logSw: | -3.7607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.54 |
| InChI Key: | COQUFSNXBUZKEE-UHFFFAOYSA-N |