N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0392 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | C1CCN(CC1)C(c1c2cc(ccc2on1)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9954 |
| logD: | 2.9953 |
| logSw: | -3.4222 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.96 |
| InChI Key: | NCZOJMFRUVPPAV-UHFFFAOYSA-N |