methyl 6-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7710 |
| Compound Name: | methyl 6-amino-4-(4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C17 H17 N5 O3 S3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(CSc2nnc(N)s2)c(C)s1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2604 |
| logD: | 2.2604 |
| logSw: | -2.3507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.276 |
| InChI Key: | VVGNCWLEQMKPMM-ZDUSSCGKSA-N |