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Chemical ID: 5607708
Chemical ID:
5607708
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)C(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5)OC)C
InChi [?]:
InChI=1/C31H28N2O4/c1-20-17-21(2)19-23(18-20)29(34)32(24-11-13-25(37-3)14-12-24)15-6-16-33-30(35)26-9-4-7-22-8-5-10-27(28(22)26)31(33)36/h4-5,7-14,17-19H,6,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,36,19,25,12,20,26,18,24,30,34,31,33,11,13,3,7,5,2,4,21,6,29,32,17,23,22,8,15,27,10,14,9,16,28,35/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(18,19)(20,21)(26,27)(30,31)(35,36)/rA:37nCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCCOCC/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;s32;s35;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H28N2O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1605 |
Area: | 697.366 |
Solvation: | -4.27366 |
Coulombic: | -54.1329 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 492.565 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.47 |
LogP (Chemaxon): | 5.06 |
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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