N-(2,3-dimethylphenyl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | C683-0500 |
Compound Name: | N-(2,3-dimethylphenyl)-2-{[2-(4-fluorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 471.55 |
Molecular Formula: | C27 H22 F N3 O2 S |
Smiles: | Cc1cccc(c1C)NC(CSc1c2Cc3ccccc3Oc2nc(c2ccc(cc2)F)n1)=O |
Stereo: | ACHIRAL |
logP: | 7.3309 |
logD: | 7.3278 |
logSw: | -5.8486 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.582 |
InChI Key: | AESCEMVFWHGGLY-UHFFFAOYSA-N |