N-(4-chloro-2-fluorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(4-chloro-2-fluorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0590 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C19 H14 Cl F N4 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc(cc1F)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.04 |
| logD: | 4.0295 |
| logSw: | -4.5785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.495 |
| InChI Key: | GPFYLLSJADPCEQ-UHFFFAOYSA-N |