AC1MGGJ2
N-(furan-2-ylmethyl)-9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide
Also Known As: CBKinase1_007764|CBKinase1_020164|BRD-A12909689-001-01-1|N-(furan-2-ylmethyl)-3,3-dimethyl-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide|N-(furan-2-ylmethyl)-9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide|10-{[(2-furylmethyl)amino]thioxomethyl}-3,3-dimethyl-11-(3-pyridyl)-2,3,4-trih ydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one|N-(2-FURYLMETHYL)-3,3-DIMETHYL-1-OXO-11-(3-PYRIDYL)-1,2,3,4,5,11-HEXAHYDRO-10H-DIBENZO[B,E][1,4]DIAZEPINE-10-CARBOTHIOAMIDE
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.17764 g/mol |
| LogP | 5.3657 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.17764 |
| Monoisotopic Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1218.1085 |
Chemical Identifiers
| CAS Number | 669751-35-3 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=S)NCC4=CC=CO4)C5=CN=CC=C5)C(=O)C1)C |
Product Overview
AC1MGGJ2 (CAS 669751-35-3), with molecular formula C26H26N4O2S and molecular weight 458.17764 g/mol. IUPAC: N-(furan-2-ylmethyl)-9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carbothioamide.