N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0473 |
| Compound Name: | N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C17 H22 N2 O3 S |
| Smiles: | CC(C)CCNC(c1cccc(c1)NC(C1=CSCCO1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6918 |
| logD: | 2.6888 |
| logSw: | -3.2051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.485 |
| InChI Key: | QODYYQGMWMCKSV-UHFFFAOYSA-N |