Chemical ID: 7454134

COCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4ccc(cc4)C(=O)OC
Chemical ID:
7454134
Name [?]:
methyl 4-[3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-(2-methoxyethyl)-4,5-dioxo-pyrrolidin-2-yl]benzoate
SMILES [?]:
COCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4ccc(cc4)C(=O)OC
InChi [?]:
InChI=1/C24H23NO8/c1-30-10-9-25-20(14-3-5-15(6-4-14)24(29)31-2)19(22(27)23(25)28)21(26)16-7-8-17-18(13-16)33-12-11-32-17/h3-8,13,20,26H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,25,29,26,28,10,11,4,3,17,16,14,24,27,9,12,13,7,6,8,20,22,30,5,19,21,23,31,2,32,18,15/E:(3,4)(5,6)/rA:33cCOCCNCCCCCCCCCOCCOOCOCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12s17;s8;s7;d20;s5s20;d22;s6;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23NO8
All Atoms:56
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:8.52878
Area:613.706
Solvation:-6.81386
Coulombic:-86.7652
Bond Count [?]
All:36
Single:26
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:453.441
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.92
LogP (Chemaxon):0.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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