3-methyl-4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl thiocyanate
Chemical Structure Depiction of
3-methyl-4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl thiocyanate
3-methyl-4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl thiocyanate
Compound characteristics
| Compound ID: | 8011-5978 |
| Compound Name: | 3-methyl-4-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl thiocyanate |
| Molecular Weight: | 326.46 |
| Molecular Formula: | C19 H22 N2 O S |
| Smiles: | Cc1cc(ccc1NC(C12CC3CC(CC(C3)C2)C1)=O)SC#N |
| Stereo: | ACHIRAL |
| logP: | 4.9998 |
| logD: | 4.9995 |
| logSw: | -4.6602 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.462 |
| InChI Key: | AWKGKUYQISDLHA-UHFFFAOYSA-N |