2-ethyl-5-(ethylsulfanyl)-4-{[2-(2-nitrobenzoyl)hydrazinylidene]methyl}thiophene-3-carboxylic acid
Chemical Structure Depiction of
2-ethyl-5-(ethylsulfanyl)-4-{[2-(2-nitrobenzoyl)hydrazinylidene]methyl}thiophene-3-carboxylic acid
2-ethyl-5-(ethylsulfanyl)-4-{[2-(2-nitrobenzoyl)hydrazinylidene]methyl}thiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | K206-0142 |
| Compound Name: | 2-ethyl-5-(ethylsulfanyl)-4-{[2-(2-nitrobenzoyl)hydrazinylidene]methyl}thiophene-3-carboxylic acid |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C17 H17 N3 O5 S2 |
| Smiles: | CCc1c(C(O)=O)c(/C=N/NC(c2ccccc2[N+]([O-])=O)=O)c(SCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3583 |
| logD: | 1.963 |
| logSw: | -4.3262 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.061 |
| InChI Key: | FQRDQJUXZNUKLF-UHFFFAOYSA-N |