6-chloro-7-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0268 |
| Compound Name: | 6-chloro-7-[4-(pyridine-4-carbonyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C18 H17 Cl N4 O5 S |
| Smiles: | C1CN(CCN1C(c1ccncc1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2035 |
| logD: | 0.1426 |
| logSw: | -2.8004 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.104 |
| InChI Key: | VPYDOSBUCYCVPT-UHFFFAOYSA-N |