N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E856-2767 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)methyl]benzamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | C1Cn2c(ccn2)N(Cc2ccc(cc2)C(NCCSC23CC4CC(CC(C4)C3)C2)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.8461 |
| logD: | 3.8461 |
| logSw: | -4.1233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.715 |
| InChI Key: | UTAKINGLEJQFLN-UHFFFAOYSA-N |