6-tert-butyl-2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
6-tert-butyl-2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-tert-butyl-2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8010-3682 |
| Compound Name: | 6-tert-butyl-2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C(N)=O)c(NC(/C=C/c3cccc(c3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2519 |
| logD: | 3.8964 |
| logSw: | -4.6008 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.272 |
| InChI Key: | LUYGWVDBSGOOKN-CQSZACIVSA-N |