Chemical ID: 4492813

Cc1ccc(cc1)CN2C(c3c(=O)c4cc(c(cc4oc3C2=O)C)C)c5ccc(cc5)C(=O)OC
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

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