2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-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-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-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}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1125 |
| Compound Name: | 2-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C17 H15 N5 O2 S3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cc(CSc3nnc(N)s3)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7146 |
| logD: | 1.7146 |
| logSw: | -2.159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 104.012 |
| InChI Key: | TYVFBSFKAGCMHT-ZDUSSCGKSA-N |