2-[3-(4-nitrophenyl)prop-2-enamido]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[3-(4-nitrophenyl)prop-2-enamido]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[3-(4-nitrophenyl)prop-2-enamido]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y503-0853 |
| Compound Name: | 2-[3-(4-nitrophenyl)prop-2-enamido]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CCCC1CCc2c(C(N)=O)c(NC(/C=C/c3ccc(cc3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1173 |
| logD: | 3.7619 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.272 |
| InChI Key: | KBOGDXRUAUCMKZ-CQSZACIVSA-N |