(11aR)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N119-0011 |
| Compound Name: | (11aR)-3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C21 H34 N4 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4546 |
| logD: | 1.4546 |
| logSw: | -1.4828 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.126 |
| InChI Key: | NTFUQBZDPJUXOM-RCCFBDPRSA-N |