N-(3-{[(3-ethylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-{[(3-ethylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-{[(3-ethylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0528 |
| Compound Name: | N-(3-{[(3-ethylphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CCc1cccc(CNC(c2cccc(c2)NC(C2=C(C)OCCS2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4404 |
| logD: | 3.4336 |
| logSw: | -3.6102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | VDIWTJYBABOUBH-UHFFFAOYSA-N |