6-(3,5-dimethylpiperidine-1-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1152 |
| Compound Name: | 6-(3,5-dimethylpiperidine-1-sulfonyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCCC1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2433 |
| logD: | 2.2433 |
| logSw: | -2.8768 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.405 |
| InChI Key: | AYJZTXPKBNJQFT-UHFFFAOYSA-N |