4-[5-(tert-butylimino)-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl]benzonitrile
Chemical Structure Depiction of
4-[5-(tert-butylimino)-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl]benzonitrile
4-[5-(tert-butylimino)-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | F208-0331 |
| Compound Name: | 4-[5-(tert-butylimino)-3,3-dimethyl-4-(morpholin-4-yl)-2-sulfanylidenepyrrolidin-1-yl]benzonitrile |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | CC1(C)C(\C(=N/C(C)(C)C)N(C1=S)c1ccc(C#N)cc1)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4917 |
| logD: | 3.4906 |
| logSw: | -3.5141 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.519 |
| InChI Key: | YRIUFYZDOQUJDX-SPJFCROGSA-N |