methyl 4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
methyl 4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Compound characteristics
| Compound ID: | 6753-0465 |
| Compound Name: | methyl 4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3ccc(cc3)C(=O)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3757 |
| logD: | 5.3757 |
| logSw: | -5.3536 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.813 |
| InChI Key: | XRHKEQVWJNSNQL-QHCPKHFHSA-N |