3'-{[(4-methylphenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-{[(4-methylphenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-{[(4-methylphenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 4896-4267 |
| Compound Name: | 3'-{[(4-methylphenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC4(CCCCC4)O3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2104 |
| logD: | 5.2104 |
| logSw: | -4.9802 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.132 |
| InChI Key: | XRRFVYBGJUVKLP-UHFFFAOYSA-N |