N-(2-methyl-5-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-methyl-5-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-methyl-5-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1568 |
| Compound Name: | N-(2-methyl-5-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(NCc1c[nH]nc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4818 |
| logD: | 1.4766 |
| logSw: | -2.4716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.942 |
| InChI Key: | IYCAEHZXKKSRCP-UHFFFAOYSA-N |