N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide
Compound characteristics
| Compound ID: | E989-0921 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-4-[2-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]-4-oxobutanamide |
| Molecular Weight: | 495.69 |
| Molecular Formula: | C27 H37 N5 O2 S |
| Smiles: | Cn1cccc1c1cc2N(CCCn2n1)C(CCC(NCCSC12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1281 |
| logD: | 4.1281 |
| logSw: | -4.1343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.189 |
| InChI Key: | ISMLACFOLHWBLN-UHFFFAOYSA-N |