2-[3-(5-nitrofuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[3-(5-nitrofuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[3-(5-nitrofuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y508-5340 |
| Compound Name: | 2-[3-(5-nitrofuran-2-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 361.37 |
| Molecular Formula: | C16 H15 N3 O5 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(/C=C/c1ccc([N+]([O-])=O)o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.8016 |
| logD: | 1.4355 |
| logSw: | -2.5052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.721 |
| InChI Key: | WONGNDCFXIIJFL-UHFFFAOYSA-N |