2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 2425-4364 |
| Compound Name: | 2-[3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.6946 |
| logD: | 2.3392 |
| logSw: | -3.1819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.272 |
| InChI Key: | BHCPWPAQIFSANX-UHFFFAOYSA-N |