(1S)-3-({[1-(3-methylbutyl)-1H-indol-4-yl]oxy}acetyl)-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-({[1-(3-methylbutyl)-1H-indol-4-yl]oxy}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-({[1-(3-methylbutyl)-1H-indol-4-yl]oxy}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-5472 |
| Compound Name: | (1S)-3-({[1-(3-methylbutyl)-1H-indol-4-yl]oxy}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CC(C)CCn1ccc2c(cccc12)OCC(N1C[C@@H]2C[C@H](C1)CN1C2=CC=CC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.2111 |
| logD: | 4.2111 |
| logSw: | -4.1787 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.733 |
| InChI Key: | NGUADZCEPJYYGZ-PMACEKPBSA-N |