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Chemical ID: 5607741
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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