Primary record
AC1NQNGL
- CAS
- 497223-20-8
- PubChem CID
- 5275753
- SMILES
- CCCCOCCOC1=CC=C(C=C1)C2=CC/3=C(C=C2)N(CCC/C(=C3)/C(=O)NC4=CC=C(C=C4)SCC5=CN=CN5CCC)CC(C)C
- Molecular Formula
- C41H52N4O3S
- Molecular Weight
- 680.959
- Exact Mass
- 680.376
- InChI
- InChI=1S/C41H52N4O3S/c1-5-7-22-47-23-24-48-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)49-29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+
- InChIKey
- XHVOLQQWYJXZAX-JJNGWGCYSA-N
- LogP
- 9.7262
- TPSA
- 68.62
Names and synonyms
- AC1NQNGL
- SCHEMBL3170985
- AIDS228328
- CID5275753
- (E)-8-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-(((1-propyl-1H-imidazol-5-yl)methyl)thio)phenyl)-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxamide
- 497223-20-8
- (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-(4-{[(1-propyl-1H-imidazol-5-yl)methyl]sulfanyl}phenyl)-1,2,3,4-tetrahydro-1-benzazocine-5-carboxamide
- (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
- (5E)-8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(3-propylimidazol-4-yl)methylsulfanyl]phenyl]-3,4-dihydro-2H-1-benzazocine-5-carboxamide
- 1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]thio]phenyl]-, (5E)-