4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Chemical Structure Depiction of
4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Compound characteristics
| Compound ID: | 4896-3956 |
| Compound Name: | 4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(cc4)O)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6391 |
| logD: | 4.6368 |
| logSw: | -4.3934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.643 |
| InChI Key: | CONTYGMQKDGQLO-QFIPXVFZSA-N |