N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethyl-N-propylhexanamide
Chemical Structure Depiction of
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethyl-N-propylhexanamide
N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethyl-N-propylhexanamide
Compound characteristics
Compound ID: | V025-3085 |
Compound Name: | N-(3-{[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-3,5,5-trimethyl-N-propylhexanamide |
Molecular Weight: | 465.06 |
Molecular Formula: | C23 H33 Cl N4 O2 S |
Salt: | not_available |
Smiles: | CCCN(CCC(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)C(CC(C)CC(C)(C)C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7544 |
logD: | 5.7541 |
logSw: | -5.9646 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.573 |
InChI Key: | YSRVZDQQFCCYAU-MRXNPFEDSA-N |