propan-2-yl 4-(3-bromophenyl)-2-(4-chloro-2-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-(3-bromophenyl)-2-(4-chloro-2-nitrobenzamido)thiophene-3-carboxylate
propan-2-yl 4-(3-bromophenyl)-2-(4-chloro-2-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-5344 |
| Compound Name: | propan-2-yl 4-(3-bromophenyl)-2-(4-chloro-2-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 523.79 |
| Molecular Formula: | C21 H16 Br Cl N2 O5 S |
| Smiles: | CC(C)OC(c1c(csc1NC(c1ccc(cc1[N+]([O-])=O)[Cl])=O)c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3459 |
| logD: | 2.9401 |
| logSw: | -6.306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.366 |
| InChI Key: | YJPXOADHMAAZLJ-UHFFFAOYSA-N |