(11aR)-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N119-0093 |
| Compound Name: | (11aR)-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C22 H32 N6 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCN(CC1)C(c1ccn(CC)n1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4282 |
| logD: | 0.4282 |
| logSw: | -1.4613 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.767 |
| InChI Key: | JRDWNLFEPNNAND-AOIWGVFYSA-N |