1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide
1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F864-0766 |
| Compound Name: | 1-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazole-2-carbonyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]piperidine-3-carboxamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C25 H29 N5 O5 S |
| Smiles: | C1CCC(CCNC(C2CCCN(C2)C(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7399 |
| logD: | 2.7252 |
| logSw: | -3.3432 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.978 |
| InChI Key: | REJNPTKWGUFKNV-KRWDZBQOSA-N |