2-amino-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
2-amino-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Compound characteristics
| Compound ID: | 8017-0161 |
| Compound Name: | 2-amino-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | C1CC=C2C(C1)C(c1cc(CN3CCOCC3)cs1)C(C#N)(C#N)C(=C2C#N)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.303 |
| logD: | -0.2719 |
| logSw: | -2.5774 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.015 |
| InChI Key: | NLVKFYPGNGFICO-UHFFFAOYSA-N |