(11aR)-3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0165 |
| Compound Name: | (11aR)-3-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(c1ccc(cc1)n1c(C)ccc1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.501 |
| logD: | 2.501 |
| logSw: | -2.4524 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.009 |
| InChI Key: | CEYIINYPLRZEGC-CZTZKLFOSA-N |