2-methyl-N-(2-methyl-5-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(2-methyl-5-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(2-methyl-5-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1196 |
| Compound Name: | 2-methyl-N-(2-methyl-5-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CC1=C(C(Nc2cc(ccc2C)C(NCc2cccnc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.2771 |
| logD: | 1.2652 |
| logSw: | -1.9338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.834 |
| InChI Key: | QHSOYJBOKGKUJW-UHFFFAOYSA-N |