2-methyl-N-{2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-{2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2441 |
| Compound Name: | 2-methyl-N-{2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C20 H24 N4 O3 S2 |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCSCc2c(C)[nH]cn2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.7734 |
| logD: | 1.7734 |
| logSw: | -2.8453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.828 |
| InChI Key: | HOKLZIYQEPTBOC-UHFFFAOYSA-N |