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Chemical ID: 4492813
Chemical ID:
4492813
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4cc(c(cc4oc3C2=O)C)C)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C29H25NO5/c1-16-5-7-19(8-6-16)15-30-25(20-9-11-21(12-10-20)29(33)34-4)24-26(31)22-13-17(2)18(3)14-23(22)35-27(24)28(30)32/h5-14,25H,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,24,35,3,7,4,6,27,31,28,30,15,18,8,2,16,17,5,26,29,14,19,11,10,12,21,22,32,9,13,23,33,34,20/E:(5,6)(7,8)(9,10)(11,12)/rA:35cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s17;s16;s10;s26;d27;s28;d29;d26s30;s29;d32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25NO5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3439 |
Area: | 654.549 |
Solvation: | -4.01982 |
Coulombic: | -56.5769 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 467.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.38 |
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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