methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
methyl 3-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | J098-1423 |
Compound Name: | methyl 3-{[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(c1cccc(c1)NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1524 |
logD: | 3.1524 |
logSw: | -3.6695 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.818 |
InChI Key: | WXXHLNVTCSEQQW-QGZVFWFLSA-N |