N-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1431 |
| Compound Name: | N-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(N2CCN(CC2)c2cccc(c2)[Cl])=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8585 |
| logD: | 2.5492 |
| logSw: | -3.7174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.509 |
| InChI Key: | FSBCOMYRDATFPC-UHFFFAOYSA-N |