N-(5-chloro-2,4-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0592 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 458.92 |
| Molecular Formula: | C21 H19 Cl N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1cc(c(cc1OC)OC)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.7169 |
| logD: | 3.7071 |
| logSw: | -4.0155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.756 |
| InChI Key: | WMYNNAWEYBEKHD-UHFFFAOYSA-N |