N-(3-{[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}phenyl)benzamide
Basic information
- CAS
364628-57-9- Standard SMILES
CC1(C)Nc2ccccc2-c2c1ssc2=Nc1cccc(NC(=O)c2ccccc2)c1- InChIKey
LTPPWWRXINQURG-UHFFFAOYSA-N- Molecular formula
- C25H21N3OS2
- Average molar mass
- 443.6 g/mol
Names & identifiers
- Preferred name
- N-(3-{[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}phenyl)benzamide
- IUPAC
- N-[3-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamide
- English name
- N-(3-{[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}phenyl)benzamide
- Molecular formula
- C25H21N3OS2
- Molecular weight
- 443.58
Names & synonyms
N-(3-{[(1Z)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amino}phenyl)benzamideChemDiv1_023648Oprea1_367892HMS654C20STK045235AKOS001658553N-[3-[(4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]benzamideST50104427AJ-292/15251009SR-01000464089SR-01000464089-1(Z)-N-(3-((4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino)phenyl)benzamide
Show more names
Benzamide, N-[3-[(4,5-dihydro-4,4-dimethyl-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]-
N-(3-{[(1Z)-4,4-DIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-YLIDENE]AMINO}PHENYL)BENZAMIDEN-{3-[(4,4-dimethyl(4,5-dihydro-1,2-dithioleno[5,4-c]quinolinylidene))azamethy l]phenyl}benzamideN-{3-[(4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl}benzamide
Database identifiers
- CAS
364628-57-9
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 12.98 · 12.98±0.70(Predicted)
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Compound notes
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