N-(4-chlorophenyl)-2-[(8,8-dimethyl-5-phenyl-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-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-chlorophenyl)-2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-9307 |
| Compound Name: | N-(4-chlorophenyl)-2-[(8,8-dimethyl-5-phenyl-7,10-dihydro-8H-pyrano[3,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.99 |
| Molecular Formula: | C24 H22 Cl N5 O2 S |
| Smiles: | CC1(C)CC2=C(CO1)c1nnc(n1C(c1ccccc1)=N2)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3163 |
| logD: | 3.7008 |
| logSw: | -4.632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.326 |
| InChI Key: | NDYMYBBPWQVNOC-UHFFFAOYSA-N |