N-[5-(butylcarbamoyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[5-(butylcarbamoyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[5-(butylcarbamoyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1545 |
| Compound Name: | N-[5-(butylcarbamoyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CCCCNC(c1ccc(C)c(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4574 |
| logD: | 2.4522 |
| logSw: | -2.9104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.787 |
| InChI Key: | NMEKAZJNHVTNEM-UHFFFAOYSA-N |