2-amino-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1126 |
| Compound Name: | 2-amino-4-(4-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | Cn1ccnc1SCc1cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)sc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8858 |
| logD: | 1.7185 |
| logSw: | -2.3357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.268 |
| InChI Key: | DISBRMLREWAWDZ-INIZCTEOSA-N |