N-benzyl-3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
Chemical Structure Depiction of
N-benzyl-3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
N-benzyl-3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | K291-0067 |
| Compound Name: | N-benzyl-3,3-bis{[(4-tert-butylphenyl)methyl]sulfanyl}-2-cyanoprop-2-enamide |
| Molecular Weight: | 542.81 |
| Molecular Formula: | C33 H38 N2 O S2 |
| Smiles: | CC(C)(C)c1ccc(CSC(=C(C#N)C(NCc2ccccc2)=O)SCc2ccc(cc2)C(C)(C)C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.7598 |
| logD: | 8.7547 |
| logSw: | -5.8498 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.436 |
| InChI Key: | DYUAINNNUCDLHS-UHFFFAOYSA-N |