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Chemical ID: 5607656
Chemical ID:
5607656
Name [?]:
None
SMILES [?]:
Cc1ccccc1N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5
InChi [?]:
InChI=1/C29H24N2O3/c1-20-10-5-6-17-25(20)30(27(32)22-11-3-2-4-12-22)18-9-19-31-28(33)23-15-7-13-21-14-8-16-24(26(21)23)29(31)34/h2-8,10-17H,9,18-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,32,31,33,4,5,17,23,10,3,30,34,18,24,16,22,6,9,11,2,19,29,15,21,7,20,27,13,25,8,12,28,14,26/E:(3,4)(7,8)(11,12)(13,14)(15,16)(23,24)(28,29)(33,34)/rA:34nCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s12s21;d25;s8;d27;s27;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N2O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1275 |
Area: | 653.146 |
Solvation: | -3.20114 |
Coulombic: | -48.1121 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 448.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.91 |
LogP (Chemaxon): | 4.84 |
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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