3-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4458 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6,6-dimethyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 384.89 |
| Molecular Formula: | C19 H17 Cl N4 O S |
| Smiles: | CC1(C)Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6617 |
| logD: | 4.6617 |
| logSw: | -4.8974 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.932 |
| InChI Key: | YYOUSWBTYMZZQZ-UHFFFAOYSA-N |