Chemical ID: 4037527

c1ccc2c(c1)CCN(C2)C(=O)Nc3ccc(cc3C(F)(F)F)Cl
Chemical ID:
4037527
Name [?]:
N,N-bis(3,4-dihydro-1H-isoquinolin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES [?]:
c1ccc2c(c1)CCN(C2)C(=O)Nc3ccc(cc3C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H14ClF3N2O/c18-13-5-6-15(14(9-13)17(19,20)21)22-16(24)23-8-7-11-3-1-2-4-12(11)10-23/h1-6,9H,7-8,10H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,15,7,8,18,10,5,4,17,19,14,11,20,24,21,22,23,13,9,12/E:(19,20,21)/rA:24nCCCCCCCCNCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClF3N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3011
Area:505.182
Solvation:-2.3285
Coulombic:-50.3127
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.754
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):4.75

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