2-methyl-N-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2423 |
| Compound Name: | 2-methyl-N-{2-[({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCC2CCN(CC2)Cc2ccc(C)cc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.4967 |
| logD: | 3.4967 |
| logSw: | -3.766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.048 |
| InChI Key: | KTCMVNSSIZNZGO-UHFFFAOYSA-N |