4-(1,3-benzothiazol-2-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | SD63-0141 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]butan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | C(CC(N1CCC(C1)c1c2COCCc2[nH]n1)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0673 |
| logD: | 3.0673 |
| logSw: | -3.2886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.963 |
| InChI Key: | VDNBEYXLZCXSOP-CQSZACIVSA-N |