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Chemical ID: 5627340
Chemical ID:
5627340
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5
InChi [?]:
InChI=1/C30H26N2O3/c1-20-15-16-26(21(2)19-20)31(28(33)23-9-4-3-5-10-23)17-8-18-32-29(34)24-13-6-11-22-12-7-14-25(27(22)24)30(32)35/h3-7,9-16,19H,8,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,33,32,34,18,24,11,31,35,19,25,17,23,3,4,10,12,7,2,6,20,30,16,22,5,21,28,14,26,9,13,29,15,27/E:(4,5)(6,7)(9,10)(11,12)(13,14)(24,25)(29,30)(34,35)/rA:35nCCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s9;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.587 |
Area: | 672.389 |
Solvation: | -3.22273 |
Coulombic: | -47.8678 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 462.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.35 |
LogP (Chemaxon): | 5.31 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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