N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | E856-3107 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]methyl}benzamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | COc1ccc(cc1)c1cc2N(Cc3ccc(cc3)C(NC3CCS(C3)(=O)=O)=O)C(CCn2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0921 |
| logD: | 2.0921 |
| logSw: | -2.9472 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.14 |
| InChI Key: | ULQFQWOYAREDFO-HXUWFJFHSA-N |