N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-5406 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(4-methoxyphenyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 510.01 |
| Molecular Formula: | C25 H24 Cl N5 O3 S |
| Smiles: | CC1(C)CC2=C(CO1)c1nnc(n1C(c1ccc(cc1)OC)=N2)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4038 |
| logD: | 3.8787 |
| logSw: | -4.6217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.869 |
| InChI Key: | CVXDNBZTASJISY-UHFFFAOYSA-N |