Chemical ID: 5735950

COCCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4ccc(cc4)OC
Chemical ID:
5735950
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COCCCN1C(C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H25NO7/c1-29-11-3-10-25-21(15-4-7-17(30-2)8-5-15)20(23(27)24(25)28)22(26)16-6-9-18-19(14-16)32-13-12-31-18/h4-9,14,21,26H,3,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,4,26,30,11,27,29,12,5,3,18,17,15,25,10,28,13,14,8,7,9,21,23,6,20,22,24,2,31,19,16/E:(4,5)(7,8)/rA:32cCOCCCNCCCCCCCCCOCCOOCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;s9;s8;d21;s6s21;d23;s7;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO7
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:7.14708
Area:624.774
Solvation:-8.47227
Coulombic:-73.7921
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:439.458
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.26
LogP (Chemaxon):0.72

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Descriptor Annotations

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