methyl 2-chloro-5-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
methyl 2-chloro-5-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J098-0175 |
| Compound Name: | methyl 2-chloro-5-{[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C19 H19 Cl N2 O6 S |
| Smiles: | COC(c1cc(ccc1[Cl])NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9878 |
| logD: | 2.9863 |
| logSw: | -3.6817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.818 |
| InChI Key: | ICDTXQVCYHMNAQ-KRWDZBQOSA-N |