N-(3-chlorophenyl)-5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F501-0497 |
Compound Name: | N-(3-chlorophenyl)-5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 432.97 |
Molecular Formula: | C21 H25 Cl N4 O2 S |
Smiles: | C1CCC(CCNC(CCCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 3.7285 |
logD: | 3.7252 |
logSw: | -4.261 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.563 |
InChI Key: | VZWMCBQSHNCRNJ-UHFFFAOYSA-N |