N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-ethylhexanamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-ethylhexanamide
N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-ethylhexanamide
Compound characteristics
| Compound ID: | V025-3089 |
| Compound Name: | N-(butan-2-yl)-N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-ethylhexanamide |
| Molecular Weight: | 465.06 |
| Molecular Formula: | C23 H33 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5478 |
| logD: | 6.5475 |
| logSw: | -6.3934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.45 |
| InChI Key: | ZZPYVSCEKBCDSX-UHFFFAOYSA-N |