N-[2-(4-benzylpiperazine-1-carbonyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazine-1-carbonyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-(4-benzylpiperazine-1-carbonyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0324 |
| Compound Name: | N-[2-(4-benzylpiperazine-1-carbonyl)-4-chlorophenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 472.01 |
| Molecular Formula: | C24 H26 Cl N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(N2CCN(CC2)Cc2ccccc2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.8814 |
| logD: | 0.3483 |
| logSw: | -3.6466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.091 |
| InChI Key: | WGWITZFPQNEMJO-UHFFFAOYSA-N |