N-(2-chloro-5-methoxy-4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-5-methoxy-4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-5-methoxy-4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2932 |
| Compound Name: | N-(2-chloro-5-methoxy-4-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C19 H21 Cl N4 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(NCc2c[nH]nc2C)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.6779 |
| logD: | -0.2026 |
| logSw: | -3.5173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.214 |
| InChI Key: | MKVWJCJBLNNMEX-UHFFFAOYSA-N |