Chemical ID: 5607741

Cc1cccc(c1)C(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5C)C
Chemical ID:
5607741
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5C)C
InChi [?]:
InChI=1/C31H28N2O3/c1-20-8-4-11-24(19-20)29(34)32(27-15-14-21(2)18-22(27)3)16-7-17-33-30(35)25-12-5-9-23-10-6-13-26(28(23)25)31(33)36/h4-6,8-15,18-19H,7,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,35,4,19,25,12,3,20,26,5,18,24,31,30,11,13,33,7,2,32,34,21,6,17,23,29,22,8,15,27,10,14,9,16,28/E:(5,6)(9,10)(12,13)(25,26)(30,31)(35,36)/rA:36nCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s14s23;d27;s10;s29;d30;s31;d32;d29s33;s34;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H28N2O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.1398
Area:694.76
Solvation:-3.22923
Coulombic:-47.6412
Bond Count [?]
All:40
Single:26
Double:14
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:476.566
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.78
LogP (Chemaxon):5.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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