methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-2-methylbenzoate
Chemical Structure Depiction of
methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-2-methylbenzoate
methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-2-methylbenzoate
Compound characteristics
| Compound ID: | J098-0632 |
| Compound Name: | methyl 3-{[5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carbonyl]amino}-2-methylbenzoate |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C21 H24 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1cccc(C(=O)OC)c1C)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0458 |
| logD: | 3.0457 |
| logSw: | -3.5078 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.12 |
| InChI Key: | CZNJEFVNRKDXAO-LJQANCHMSA-N |