ethyl 3-amino-4-{[(furan-2-yl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-4-{[(furan-2-yl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
ethyl 3-amino-4-{[(furan-2-yl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y501-5551 |
| Compound Name: | ethyl 3-amino-4-{[(furan-2-yl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C16 H14 N2 O5 S2 |
| Smiles: | CCOC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCc1ccco1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1624 |
| logD: | 4.1624 |
| logSw: | -4.4795 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.984 |
| InChI Key: | BQORHSPVVUVTQU-UHFFFAOYSA-N |