2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-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-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-6367 |
| Compound Name: | 2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C18 H17 N5 O2 S3 |
| Smiles: | Cc1c(CSc2nnc(N)s2)cc(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3428 |
| logD: | 2.3428 |
| logSw: | -2.4149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.012 |
| InChI Key: | MJCRESAMIYNEML-AWEZNQCLSA-N |