2-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7939 |
| Compound Name: | 2-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | C1CCCN(CC1)Cc1cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)sc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6628 |
| logD: | -0.5818 |
| logSw: | -3.0709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.684 |
| InChI Key: | JPSLYJHUBCUHPR-IBGZPJMESA-N |