N-{2-[({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{2-[({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{2-[({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0948 |
| Compound Name: | N-{2-[({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | C1CN(CCC1CNC(c1ccccc1NC(C1=CSCCO1)=O)=O)Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8081 |
| logD: | 2.1718 |
| logSw: | -4.5618 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.407 |
| InChI Key: | GGAHWWQSIHFURL-UHFFFAOYSA-N |