4-{[5-(adamantan-1-yl)-2-methylfuran-3-carbonyl]amino}phenyl thiocyanate
Chemical Structure Depiction of
4-{[5-(adamantan-1-yl)-2-methylfuran-3-carbonyl]amino}phenyl thiocyanate
4-{[5-(adamantan-1-yl)-2-methylfuran-3-carbonyl]amino}phenyl thiocyanate
Compound characteristics
| Compound ID: | 8019-3977 |
| Compound Name: | 4-{[5-(adamantan-1-yl)-2-methylfuran-3-carbonyl]amino}phenyl thiocyanate |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C23 H24 N2 O2 S |
| Smiles: | Cc1c(cc(C23CC4CC(CC(C4)C3)C2)o1)C(Nc1ccc(cc1)SC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0549 |
| logD: | 6.0548 |
| logSw: | -5.5306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.214 |
| InChI Key: | SOYYBDQWLWBVNT-UHFFFAOYSA-N |