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Chemical ID: 7080812
Chemical ID:
7080812
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC=C)CCc5ccccc5
InChi [?]:
InChI=1/C29H25NO4/c1-3-17-33-22-12-10-21(11-13-22)26-25-27(31)23-18-19(2)9-14-24(23)34-28(25)29(32)30(26)16-15-20-7-5-4-6-8-20/h3-14,18,26H,1,15-17H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,32,31,33,30,34,3,18,22,19,21,4,28,27,24,7,2,29,17,20,6,5,10,16,8,11,13,15,9,14,23,12/E:(5,6)(7,8)(10,11)(12,13)/rA:34cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s15;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25NO4 |
All Atoms: | 59 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6649 |
Area: | 688.513 |
Solvation: | -4.54796 |
Coulombic: | -46.3608 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 451.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.25 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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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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