3-{[(4-chlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-1112 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C20 H19 Cl N4 O S |
| Smiles: | CCC1(C)Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0593 |
| logD: | 5.0593 |
| logSw: | -5.0568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.733 |
| InChI Key: | QXOYAGRDLUPPBS-FQEVSTJZSA-N |