methyl 2-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | J098-1413 |
| Compound Name: | methyl 2-{[7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C21 H23 Cl N2 O8 S |
| Smiles: | COC(c1cc(c(cc1NC(C1CCN(c2cc(ccc2O1)[Cl])S(C)(=O)=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5798 |
| logD: | 2.0406 |
| logSw: | -3.5633 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.381 |
| InChI Key: | AXKFBKBIJZNLIV-QGZVFWFLSA-N |