6,6-dimethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6,6-dimethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6,6-dimethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4266 |
| Compound Name: | 6,6-dimethyl-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(C)(C)O3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4903 |
| logD: | 4.4903 |
| logSw: | -4.4073 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.932 |
| InChI Key: | NSZDJSXMNGWZQP-UHFFFAOYSA-N |