Chemical ID: 4307246

CC1(CC2=C(C(N(c3ccccc3N2)C(=O)Cc4ccccc4)c5ccc(cc5Cl)Cl)C(=O)C1)C
Chemical ID:
4307246
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(N(c3ccccc3N2)C(=O)Cc4ccccc4)c5ccc(cc5Cl)Cl)C(=O)C1)C
InChi [?]:
InChI=1/C29H26Cl2N2O2/c1-29(2)16-23-27(25(34)17-29)28(20-13-12-19(30)15-21(20)31)33(24-11-7-6-10-22(24)32-23)26(35)14-18-8-4-3-5-9-18/h3-13,15,28,32H,14,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,21,20,22,11,10,19,23,12,9,26,25,17,28,3,34,18,27,24,29,13,4,8,32,15,5,6,2,31,30,14,7,33,16/E:(1,2)(4,5)(8,9)/rA:35cCCCCCCNCCCCCCNCOCCCCCCCCCCCCCClClCOCC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;s18;d19;s20;d21;d18s22;s6;s24;d25;s26;d27;d24s28;s29;s27;s5;d32;s2s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26Cl2N2O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.2676
Area:669.766
Solvation:-3.47651
Coulombic:-37.9456
Bond Count [?]
All:39
Single:27
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:505.434
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.6
LogP (Chemaxon):6.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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