4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
Chemical Structure Depiction of
4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide
Compound characteristics
| Compound ID: | E856-3111 |
| Compound Name: | 4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}-N-[3-(propylsulfanyl)propyl]benzamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CCCSCCCNC(c1ccc(CN2C(CCn3c2cc(c2ccc(cc2)OC)n3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3101 |
| logD: | 4.3101 |
| logSw: | -4.1495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.091 |
| InChI Key: | YBTXFVJZWXDQAH-UHFFFAOYSA-N |