methyl 3-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
methyl 3-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
Compound characteristics
| Compound ID: | J098-0121 |
| Compound Name: | methyl 3-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | Cc1ccc(cc1NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6502 |
| logD: | 2.6502 |
| logSw: | -3.2344 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.12 |
| InChI Key: | MHLXIEOTBALENL-GOSISDBHSA-N |