5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1080 |
| Compound Name: | 5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C21 H25 F N4 O2 S |
| Smiles: | C1CCC(CCNC(CCCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1283 |
| logD: | 3.125 |
| logSw: | -3.4075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.563 |
| InChI Key: | UJKBARAXAZZOBZ-UHFFFAOYSA-N |