methyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | J098-0191 |
| Compound Name: | methyl 2-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C21 H24 N2 O8 S |
| Smiles: | COC(c1cc(c(cc1NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9977 |
| logD: | 1.4585 |
| logSw: | -2.9656 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.381 |
| InChI Key: | ASCOAKYTXGVQCY-QGZVFWFLSA-N |