N-[4-chloro-2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-chloro-2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-chloro-2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0309 |
| Compound Name: | N-[4-chloro-2-(4-phenylpiperazine-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(cc2C(N2CCN(CC2)c2ccccc2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.2004 |
| logD: | 0.6673 |
| logSw: | -3.6994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.811 |
| InChI Key: | OUTAICCOUAMQEJ-UHFFFAOYSA-N |