N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1357 |
| Compound Name: | N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1948 |
| logD: | 3.1938 |
| logSw: | -3.6247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.169 |
| InChI Key: | HSQXXPVFVIKQIE-UHFFFAOYSA-N |