(1S)-3-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(1S)-3-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-4960 |
| Compound Name: | (1S)-3-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CC(C)(C)c1cc(C(N2C[C@@H]3C[C@H](C2)CN2C3=CC=CC2=O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.61 |
| logD: | 2.6099 |
| logSw: | -2.5221 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.102 |
| InChI Key: | DBIZREKHLBMWLM-KBPBESRZSA-N |