3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Chemical Structure Depiction of
3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Compound characteristics
| Compound ID: | 7616-0509 |
| Compound Name: | 3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one |
| Molecular Weight: | 396.78 |
| Molecular Formula: | C18 H19 Cl F N2 O3 P |
| Smiles: | C1CN(CCN1c1ccc(c(c1)[Cl])F)P1(COc2ccccc2OC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1834 |
| logD: | 3.1834 |
| logSw: | -3.4651 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.402 |
| InChI Key: | ZDNXSKACJZMVFY-UHFFFAOYSA-N |