N-(3-chloro-4-fluorophenyl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C683-0814 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C26 H19 Cl F N3 O2 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(Nc3ccc(c(c3)[Cl])F)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 7.7486 |
| logD: | 7.7394 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.964 |
| InChI Key: | KRNGKBTYEPPTET-UHFFFAOYSA-N |