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 |