6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-2271 |
| Compound Name: | 6-chloro-N-(2,4-dimethylpentan-3-yl)-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 465.01 |
| Molecular Formula: | C23 H29 Cl N2 O4 S |
| Smiles: | CC(C)C(C(C)C)NC(C1CN(c2cc(ccc2O1)[Cl])S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8178 |
| logD: | 5.8178 |
| logSw: | -5.8837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.428 |
| InChI Key: | WBHXULPSDVCBJZ-OAQYLSRUSA-N |