7-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
7-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
7-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S022-1826 |
| Compound Name: | 7-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1)C1=CC2=NC3CCN(CC=3C(N2N1)=O)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4717 |
| logD: | 3.4716 |
| logSw: | -3.8119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.026 |
| InChI Key: | GNTROXJSSKHZHQ-UHFFFAOYSA-N |