Chemical ID: 4799121

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)CC=C)Cc6ccc7c(c6)OCO7
Chemical ID:
4799121
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)CC=C)Cc6ccc7c(c6)OCO7
InChi [?]:
InChI=1/C30H22N2O6/c1-3-12-31-21-7-5-4-6-20(21)30(29(31)35)25-26(33)19-13-17(2)8-10-22(19)38-27(25)28(34)32(30)15-18-9-11-23-24(14-18)37-16-36-23/h3-11,13-14H,1,12,15-16H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,19,20,18,21,3,31,4,32,26,7,35,29,37,2,30,6,17,22,5,33,34,10,8,11,13,24,16,23,15,9,14,25,38,36,12/rA:38cCCCCCCCCOCCOCONCCCCCCCNCOCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s26;d27;s15;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H22N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:10.8667
Area:648.962
Solvation:-5.35734
Coulombic:-69.9915
Bond Count [?]
All:44
Single:30
Double:14
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:506.506
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.05
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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