2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C683-0481 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | CCN(CC)C(CSc1c2Cc3ccccc3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4095 |
| logD: | 6.4064 |
| logSw: | -6.3188 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.807 |
| InChI Key: | HLTMHXMEWSBLPG-UHFFFAOYSA-N |