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Chemical ID: 5735950
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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