6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1179 |
| Compound Name: | 6-(3,5-dimethylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C26 H33 N5 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ccccn1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7652 |
| logD: | 2.7563 |
| logSw: | -3.4051 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.81 |
| InChI Key: | IQEBGHLGLKVLQJ-UHFFFAOYSA-N |