N-(butan-2-yl)-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-(butan-2-yl)-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-1999 |
| Compound Name: | N-(butan-2-yl)-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | CCC(C)NC(C1CN(c2ccc(C)cc2O1)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8818 |
| logD: | 3.8818 |
| logSw: | -3.9109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.518 |
| InChI Key: | TVPYGCCKSNZWDM-UHFFFAOYSA-N |