2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
Chemical Structure Depiction of
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide
Compound characteristics
| Compound ID: | K898-1268 |
| Compound Name: | 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-dipropylacetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C21 H28 N6 O2 S |
| Smiles: | CCCN(CCC)C(CSC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7676 |
| logD: | -1.501 |
| logSw: | -3.1367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.496 |
| InChI Key: | VADQOLQQZFKFRK-UHFFFAOYSA-N |