(11aR)-3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N108-0060 |
| Compound Name: | (11aR)-3-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 445 |
| Molecular Formula: | C24 H33 Cl N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6518 |
| logD: | 2.5436 |
| logSw: | -3.3182 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.556 |
| InChI Key: | HTOWLFDABFVHIM-QKNQBKEWSA-N |