N-(2-chloro-4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2-chloro-4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0271 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 404.82 |
| Molecular Formula: | C18 H11 Cl F2 N4 O S |
| Smiles: | C(C(Nc1ccc(cc1[Cl])F)=O)Sc1c2c(c3cc(ccc3[nH]2)F)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.8816 |
| logSw: | -4.2812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.951 |
| InChI Key: | QAAYNOOYAJRKPU-UHFFFAOYSA-N |