6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8017-0162 |
| Compound Name: | 6-amino-4-(4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}thiophen-2-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C20 H15 N5 O S3 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n[nH]1)c1cc(CSc2nc3ccccc3s2)cs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4815 |
| logD: | 4.4815 |
| logSw: | -4.5291 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.379 |
| InChI Key: | CNDKOZVPPGWQCT-KRWDZBQOSA-N |