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Chemical ID: 4037527
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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