Chemical ID: 7029565

COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)OC
Chemical ID:
7029565
Name [?]:
4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H25NO7/c1-29-10-4-9-25-21(15-5-3-6-17(13-15)30-2)20(23(27)24(25)28)22(26)16-7-8-18-19(14-16)32-12-11-31-18/h3,5-8,13-14,21,27H,4,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,27,4,26,28,16,17,5,3,23,22,30,20,25,15,29,18,19,8,7,13,9,10,6,14,12,11,2,31,24,21/rA:32cCOCCCNCCCCOOCOCCCCCCOCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;d26;s27;d28;d25s29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO7
All Atoms:57
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:8.55357
Area:675.26
Solvation:-8.32793
Coulombic:-73.0209
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.458
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.9
LogP (Chemaxon):1.18

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Descriptor Annotations

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