N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Compound characteristics
| Compound ID: | J014-2110 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-4-(4-methylbenzene-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(C(NCc2ccc3c(c2)OCO3)=O)Oc2cc(C)ccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9368 |
| logD: | 3.9368 |
| logSw: | -3.9819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.92 |
| InChI Key: | NJSAMCZZCLOZED-XMMPIXPASA-N |