N-{4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0253 |
| Compound Name: | N-{4-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | Cc1ccc(CN2CCC(CC2)CNC(c2ccc(cc2)NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4107 |
| logD: | 0.6897 |
| logSw: | -3.5743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.104 |
| InChI Key: | LLIRXQAXVRDZLT-UHFFFAOYSA-N |