(1S)-3-(7-methoxy-4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-9-nitro-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-(7-methoxy-4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(1S)-3-(7-methoxy-4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | Y043-8033 |
| Compound Name: | (1S)-3-(7-methoxy-4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H23 N5 O5 |
| Smiles: | COc1ccc2c(CCc3c(C(N4C[C@@H]5C[C@H](C4)CN4C5=CC=C(C4=O)[N+]([O-])=O)=O)n[nH]c23)c1 |
| Stereo: | ABSOLUTE |
| logP: | 3.4631 |
| logD: | 3.463 |
| logSw: | -3.8704 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.002 |
| InChI Key: | MGAWRUHKQYRJKM-ZFWWWQNUSA-N |