2-methoxy-5-(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
2-methoxy-5-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
2-methoxy-5-(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: | 4896-4783 |
| Compound Name: | 2-methoxy-5-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc(c(c4)O)OC)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6368 |
| logD: | 4.6051 |
| logSw: | -4.1353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.204 |
| InChI Key: | BIOUFZMCUOQEOZ-QHCPKHFHSA-N |