Chemical ID: 7436052

c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)N)C#N)C(=O)N2
Chemical ID:
7436052
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)N)C#N)C(=O)N2
InChi [?]:
InChI=1/C23H16Cl2N4O2/c24-12-8-13(25)10-14(9-12)29-18-6-3-7-19(30)20(18)23(16(11-26)21(29)27)15-4-1-2-5-17(15)28-22(23)31/h1-2,4-5,8-10H,3,6-7,27H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,16,6,3,17,15,21,19,23,27,20,22,18,5,8,4,11,13,12,9,29,7,25,24,28,26,31,10,14,30/E:(9,10)(12,13)(24,25)/rA:31cCCCCCCCCCNCCCOCCCCCCCCCClClNCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s20;s9;s8;t27;s7;d29;s4s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2N4O2
All Atoms:47
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.7232
Area:608.808
Solvation:-3.49701
Coulombic:-53.5591
Bond Count [?]
All:35
Single:24
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:451.304
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.13
LogP (Chemaxon):4.12

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