N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F633-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 473.5 |
| Molecular Formula: | C22 H23 N3 O7 S |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1912 |
| logD: | 1.191 |
| logSw: | -2.4862 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.748 |
| InChI Key: | JYSFNYCLOABYIH-UHFFFAOYSA-N |