Chemical ID: 4345940

c1ccc2c(c1)CCN(C2)C(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
4345940
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(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2N2O/c17-14-6-5-13(9-15(14)18)19-16(21)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,7,8,19,10,5,4,14,17,18,11,21,20,13,9,12/rA:21nCCCCCCCCNCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4804
Area:498.677
Solvation:-1.98654
Coulombic:-32.2029
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:321.201
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.86
LogP (Chemaxon):4.39

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