N-(3-chloro-4-fluorophenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0049 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C18 H12 Cl F N4 O S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1c2c(c3ccccc3[nH]2)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1092 |
| logD: | 4.099 |
| logSw: | -4.4772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.649 |
| InChI Key: | HHATXKLIFVBYDT-UHFFFAOYSA-N |