6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0140 |
| Compound Name: | 6-[4-(3-chloro-4-fluorobenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C19 H17 Cl F N3 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[Cl])F)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4635 |
| logD: | 1.4633 |
| logSw: | -3.0031 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | LNJQNOYXRBRJHH-UHFFFAOYSA-N |