Chemical ID: 7024561

CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
7024561
Name [?]:
5-(4-butoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C27H31NO6/c1-3-4-15-33-21-13-7-18(8-14-21)24-23(25(29)19-9-11-20(32-2)12-10-19)26(30)27(31)28(24)17-22-6-5-16-34-22/h7-14,22,24,30H,3-6,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,3,21,20,8,10,28,32,29,31,7,11,4,22,18,9,27,30,6,19,13,12,25,14,15,17,26,24,16,33,5,23/E:(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s21;s19s22;s14;s13;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO6
All Atoms:65
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:10.1926
Area:728.454
Solvation:-8.01873
Coulombic:-65.261
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.538
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.73
LogP (Chemaxon):3.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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