N-(5-chloro-2-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(5-chloro-2-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0346 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4446 |
| logD: | 3.4433 |
| logSw: | -3.7803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.212 |
| InChI Key: | SVLGEPBWENQVMV-UHFFFAOYSA-N |