445022-64-0
4-(2-AMINO-3-CYANO-7,7-DIMETHYL-4-(4-METHYLPHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL)BENZENESULFONAMIDE
Name4-(2-AMINO-3-CYANO-7,7-DIMETHYL-4-(4-METHYLPHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL)BENZENESULFONAMIDE
1Identification
【Name】
4-(2-AMINO-3-CYANO-7,7-DIMETHYL-4-(4-METHYLPHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL)BENZENESULFONAMIDE
【CAS】
【MDL】
MFCD03073367
【English Synonyms】
【Formula】
C25 H26 N4 O3 S
【MolWeight】
462.571
【Inchi】
InChI=1S/C25H26N4O3S/c1-15-4-6-16(7-5-15)22-19(14-26)24(27)29(17-8-10-18(11-9-17)33(28,31)32)20-12-25(2,3)13-21(30)23(20)22/h4-11,22H,12-13,27H2,1-3H3,(H2,28,31,32)
【InChIKey】
InChIKey=OAILHODFFSOJOM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)c4ccc(cc4)S(=O)(=O)N)N)C#N
【MOL File】
4-(2-AMINO-3-CYANO-7….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-AMINO-3-CYANO-7,7-DIMETHYL-4-(4-METHYLPHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL)BENZENESULFONAMIDE.cml