2-{[2-(4-chlorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[2-(4-chlorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C683-0608 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C24 H24 Cl N3 O2 S |
| Smiles: | CCN(CC)C(CSc1c2Cc3cc(C)ccc3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6942 |
| logD: | 6.6911 |
| logSw: | -6.3268 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.807 |
| InChI Key: | KKXLBTWLDRASLA-UHFFFAOYSA-N |