4-[5-(tert-butylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile
Chemical Structure Depiction of
4-[5-(tert-butylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile
4-[5-(tert-butylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | F208-0403 |
| Compound Name: | 4-[5-(tert-butylimino)-3,3-dimethyl-2-sulfanylidene-4-(thiomorpholin-4-yl)pyrrolidin-1-yl]benzonitrile |
| Molecular Weight: | 400.61 |
| Molecular Formula: | C21 H28 N4 S2 |
| Smiles: | CC1(C)C(\C(=N/C(C)(C)C)N(C1=S)c1ccc(C#N)cc1)N1CCSCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0553 |
| logD: | 4.0548 |
| logSw: | -4.0661 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 29.6102 |
| InChI Key: | MAHTYPNFOQDNOD-KRWDZBQOSA-N |