N-[4-(butylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(butylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(butylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1614 |
| Compound Name: | N-[4-(butylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CCCCNC(c1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.037 |
| logD: | 1.7277 |
| logSw: | -2.8629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.127 |
| InChI Key: | PXXQYZQJXLNBGJ-UHFFFAOYSA-N |