2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7075 |
| Compound Name: | 2-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C23 H19 N3 O2 S3 |
| Smiles: | Cc1c(CSc2nc3ccccc3s2)cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9466 |
| logD: | 4.9466 |
| logSw: | -4.8883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.43 |
| InChI Key: | GRCALWWDQVEDAU-FQEVSTJZSA-N |