N-[4-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1649 |
| Compound Name: | N-[4-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C26 H31 F N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCCN2CCN(CC2)c2ccc(cc2)F)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3011 |
| logD: | 2.3011 |
| logSw: | -2.8777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.098 |
| InChI Key: | QQZWWDZJCTVOKS-UHFFFAOYSA-N |