6-chloro-4-(4-methylbenzene-1-sulfonyl)-N-(pentan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
6-chloro-4-(4-methylbenzene-1-sulfonyl)-N-(pentan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
6-chloro-4-(4-methylbenzene-1-sulfonyl)-N-(pentan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-2309 |
| Compound Name: | 6-chloro-4-(4-methylbenzene-1-sulfonyl)-N-(pentan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C21 H25 Cl N2 O4 S |
| Smiles: | CCCC(C)NC(C1CN(c2cc(ccc2O1)[Cl])S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7381 |
| logD: | 4.7381 |
| logSw: | -4.7653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.518 |
| InChI Key: | KEQTXUYEFOUTME-UHFFFAOYSA-N |