N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D068-0017 |
| Compound Name: | N-(4-chlorophenyl)-2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C24 H24 Cl N3 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)c(nc(c1ccc(cc1)OC)n2)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2144 |
| logD: | 6.214 |
| logSw: | -6.2902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.209 |
| InChI Key: | KLXINAFVRMUWLM-UHFFFAOYSA-N |