N-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0359 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1cccc(c1)NC(C1=CSCCO1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9143 |
| logD: | 3.9137 |
| logSw: | -4.2763 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.566 |
| InChI Key: | MDGYUZDKXNDYOQ-UHFFFAOYSA-N |