methyl 4-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
methyl 4-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J098-1315 |
| Compound Name: | methyl 4-{[7-chloro-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(c1ccc(cc1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9718 |
| logD: | 2.9715 |
| logSw: | -3.7554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.818 |
| InChI Key: | KEQSBQCWQIYJGU-QGZVFWFLSA-N |