2-amino-4-(5-butylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-butylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-butylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8344 |
| Compound Name: | 2-amino-4-(5-butylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C18 H20 N2 O2 S |
| Smiles: | CCCCc1ccc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4386 |
| logD: | 3.4386 |
| logSw: | -3.9148 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.621 |
| InChI Key: | OXEUQRAGYCLBTP-INIZCTEOSA-N |