Chemical ID: 4264695

CCOC(=O)C1=CC2C3C(C1C4C2C(=O)N(C4=O)c5ccccc5C)C(=O)N(C3=O)c6ccccc6C
Chemical ID:
4264695
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=CC2C3C(C1C4C2C(=O)N(C4=O)c5ccccc5C)C(=O)N(C3=O)c6ccccc6C
InChi [?]:
InChI=1/C29H26N2O6/c1-4-37-29(36)17-13-16-21-23(27(34)30(25(21)32)18-11-7-5-9-14(18)2)20(17)24-22(16)26(33)31(28(24)35)19-12-8-6-10-15(19)3/h5-13,16,20-24H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,37,2,22,34,21,33,23,35,20,32,7,24,36,8,6,19,31,11,13,9,12,10,14,29,17,26,4,16,28,15,30,18,27,5,3/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)(18,19)(21,22)(23,24)(25,26)(27,28)(30,31)(32,33)(34,35)/rA:37cCCOCOCCCCCCCCCONCOCCCCCCCCONCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;s11;s8s12;s13;d14;s14;s12s16;d17;s16;s19;d20;s21;d22;d19s23;s24;s10;d26;s26;s9s28;d29;s28;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:4
ZAP Information [?]
Total:7.83741
Area:550.445
Solvation:-5.92373
Coulombic:-63.1653
Bond Count [?]
All:42
Single:30
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:498.527
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.38
LogP (Chemaxon):2.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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