4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxobutanamide
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxobutanamide
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxobutanamide
Compound characteristics
| Compound ID: | D628-0068 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxobutanamide |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C23 H29 N3 O2 S |
| Smiles: | C1CCC(CCNC(CCC(N2CCCC2c2nc3ccccc3s2)=O)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0945 |
| logD: | 3.0945 |
| logSw: | -3.2567 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.373 |
| InChI Key: | YCBLZVBBTLPYSD-IBGZPJMESA-N |