methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate
Compound characteristics
| Compound ID: | J098-1353 |
| Compound Name: | methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4-methylbenzoate |
| Molecular Weight: | 452.91 |
| Molecular Formula: | C20 H21 Cl N2 O6 S |
| Smiles: | Cc1ccc(cc1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2323 |
| logD: | 3.2323 |
| logSw: | -3.7382 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.12 |
| InChI Key: | UQSRZJPYRIUIBZ-GOSISDBHSA-N |