methyl 4-methyl-3-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
methyl 4-methyl-3-{[7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J014-2083 |
| Compound Name: | methyl 4-methyl-3-{[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: | Cc1ccc(cc1)S(N1CC(C(Nc2cc(ccc2C)C(=O)OC)=O)Oc2cc(C)ccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8576 |
| logD: | 4.8575 |
| logSw: | -4.5895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.959 |
| InChI Key: | ALOVEQQSENGTQC-XMMPIXPASA-N |