2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0520 |
| Compound Name: | 2-methyl-N-(3-{[1-(thiophen-2-yl)butyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C21 H24 N2 O3 S2 |
| Smiles: | CCCC(c1cccs1)NC(c1cccc(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5183 |
| logD: | 3.5115 |
| logSw: | -3.6225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.662 |
| InChI Key: | PGXSDTCENRYAQR-KRWDZBQOSA-N |