5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0612 |
| Compound Name: | 5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C20 H23 F N4 O2 S2 |
| Smiles: | C1CCC(CCNC(CSCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4079 |
| logD: | 3.4052 |
| logSw: | -3.6731 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.563 |
| InChI Key: | IJUFFZPOJOFVMK-UHFFFAOYSA-N |