N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E975-1113 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C19 H18 N2 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1439 |
| logD: | 1.1439 |
| logSw: | -2.4822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.456 |
| InChI Key: | MKDZVNLYJHZZCE-UHFFFAOYSA-N |