2-{[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | Y502-4817 |
| Compound Name: | 2-{[3-(adamantan-1-yl)-3-oxoprop-1-en-1-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 366.52 |
| Molecular Formula: | C22 H26 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N/C=C/C(C13CC4CC(CC(C4)C3)C1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.2415 |
| logD: | 3.6685 |
| logSw: | -5.2249 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.275 |
| InChI Key: | GTOXXISFHVKVSQ-UHFFFAOYSA-N |