propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9276 |
| Compound Name: | propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | CCN(CC)C(c1c(C)c(C(=O)OC(C)C)c(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7405 |
| logD: | -0.4403 |
| logSw: | -4.1556 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.87 |
| InChI Key: | ZTDQFGYOQOOZEQ-UHFFFAOYSA-N |