3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7033-0655 |
| Compound Name: | 3-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C18 H14 N4 O S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4N=CO3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3635 |
| logD: | 3.3635 |
| logSw: | -3.8315 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.01 |
| InChI Key: | KKMPOSIMXFCNPH-UHFFFAOYSA-N |