N-(5-chloro-2-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0368 |
| Compound Name: | N-(5-chloro-2-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: | COc1ccc(cc1NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2404 |
| logD: | 3.2352 |
| logSw: | -3.591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.842 |
| InChI Key: | WDVFHCVFYCBNCZ-UHFFFAOYSA-N |