6-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8017-1380 |
| Compound Name: | 6-amino-4-{4-[(azepan-1-yl)methyl]thiophen-2-yl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n[nH]1)c1cc(CN2CCCCCC2)cs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8259 |
| logD: | -0.3655 |
| logSw: | -3.2192 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.633 |
| InChI Key: | IHACNBBKCZJFOR-KRWDZBQOSA-N |