N-(4-chloro-2-fluorophenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(4-chloro-2-fluorophenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0174 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C19 H14 Cl F N4 O S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc(cc1F)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.4697 |
| logD: | 4.4585 |
| logSw: | -4.5856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.951 |
| InChI Key: | PHUZFBXKPJXUCF-UHFFFAOYSA-N |