methyl 3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-methylbenzoate
methyl 3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-methylbenzoate
Compound characteristics
| Compound ID: | J014-0112 |
| Compound Name: | methyl 3-{[4-(methanesulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}-4-methylbenzoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C19 H20 N2 O6 S |
| Smiles: | Cc1ccc(cc1NC(C1CN(c2ccccc2O1)S(C)(=O)=O)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.346 |
| logD: | 2.3459 |
| logSw: | -2.9651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.723 |
| InChI Key: | ATJRRMHJMOAZCW-QGZVFWFLSA-N |