N-(butan-2-yl)-4-chloro-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-chloro-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3-nitrobenzamide
N-(butan-2-yl)-4-chloro-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V026-4215 |
| Compound Name: | N-(butan-2-yl)-4-chloro-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3-nitrobenzamide |
| Molecular Weight: | 522.41 |
| Molecular Formula: | C22 H21 Cl2 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.397 |
| logD: | 5.3967 |
| logSw: | -6.0147 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.259 |
| InChI Key: | YGCAHACUEKKDIU-ZDUSSCGKSA-N |