N-(butan-2-yl)-4-tert-butyl-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-tert-butyl-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
N-(butan-2-yl)-4-tert-butyl-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide
Compound characteristics
| Compound ID: | V025-3081 |
| Compound Name: | N-(butan-2-yl)-4-tert-butyl-N-(3-{[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)benzamide |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C26 H31 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(CCC(Nc1nnc(c2cccc(c2)[Cl])s1)=O)C(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1093 |
| logD: | 7.109 |
| logSw: | -6.3345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.179 |
| InChI Key: | VDWGDCFUYBICNV-KRWDZBQOSA-N |