N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide
Compound characteristics
| Compound ID: | C700-1182 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide |
| Molecular Weight: | 515.58 |
| Molecular Formula: | C25 H29 N3 O7 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(NCc1ccc3c(c1)OCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0247 |
| logD: | 3.0247 |
| logSw: | -3.5861 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.233 |
| InChI Key: | VRFLSSMRJSAQHW-UHFFFAOYSA-N |