ethyl 4-{[1-(4-bromophenyl)-3-(4-nitrophenyl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-{[1-(4-bromophenyl)-3-(4-nitrophenyl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
ethyl 4-{[1-(4-bromophenyl)-3-(4-nitrophenyl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-8544 |
| Compound Name: | ethyl 4-{[1-(4-bromophenyl)-3-(4-nitrophenyl)-3-oxopropyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 533.81 |
| Molecular Formula: | C24 H21 Br N2 O5 |
| Salt: | HCl |
| Smiles: | CCOC(c1ccc(cc1)NC(CC(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3589 |
| logD: | 6.3589 |
| logSw: | -5.7021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.214 |
| InChI Key: | MSZFQGBEVMMFHI-QFIPXVFZSA-N |