methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J098-0678 |
| Compound Name: | methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1cccc(c1)C(=O)OC)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0278 |
| logD: | 3.0277 |
| logSw: | -3.502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.818 |
| InChI Key: | MSWIOOSNDNNVFP-GOSISDBHSA-N |