5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0893 |
| Compound Name: | 5-(4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCCC2CCCCC=2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.968 |
| logD: | 2.9679 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.865 |
| InChI Key: | CJDUQSPGUJSEAX-UHFFFAOYSA-N |