methyl 6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
methyl 6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-0095 |
| Compound Name: | methyl 6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C21 H17 N3 O3 S3 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(CSc2nc3ccccc3s2)cs1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.236 |
| logD: | 4.236 |
| logSw: | -4.5857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.695 |
| InChI Key: | AEUWEDLHUOEVEW-SFHVURJKSA-N |