Chemical ID: 7688265

CC1(CC2=C(C(=O)C1)C3(c4ccccc4NC3=O)C(=C(N2c5cccc(c5)Cl)n6cccc6)C#N)C
Chemical ID:
7688265
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(=O)C1)C3(c4ccccc4NC3=O)C(=C(N2c5cccc(c5)Cl)n6cccc6)C#N)C
InChi [?]:
InChI=1/C29H23ClN4O2/c1-28(2)15-23-25(24(35)16-28)29(20-10-3-4-11-22(20)32-27(29)36)21(17-31)26(33-12-5-6-13-33)34(23)19-9-7-8-18(30)14-19/h3-14H,15-16H2,1-2H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,36,12,13,31,32,24,25,23,11,14,30,33,27,3,8,34,26,22,10,19,15,4,6,5,20,17,2,9,28,35,16,29,21,7,18/E:(1,2)(5,6)(12,13)/rA:36cCCCCCCOCCCCCCCCNCOCCNCCCCCCClNCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s9;d19;s4s20;s21;s22;d23;s24;d25;d22s26;s26;s20;s29;d30;s31;s29d32;s19;t34;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H23ClN4O2
All Atoms:59
Heavy Atoms:36
Chiral Atoms:None
ZAP Information [?]
Total:12.451
Area:645.576
Solvation:-3.68839
Coulombic:-43.8857
Bond Count [?]
All:41
Single:28
Double:12
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.68
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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