ethyl 4-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
ethyl 4-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-2036 |
| Compound Name: | ethyl 4-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CN(c2ccc(C)cc2O1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1078 |
| logD: | 5.1071 |
| logSw: | -4.9283 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.236 |
| InChI Key: | KWHARMWCDQUEGK-XMMPIXPASA-N |