methyl 4-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
methyl 4-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J098-0081 |
| Compound Name: | methyl 4-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3897 |
| logD: | 2.3894 |
| logSw: | -2.8578 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.818 |
| InChI Key: | GYYAYMGVVUWBCO-QGZVFWFLSA-N |