Chemical ID: 7015170

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cccc(c3)OCCC
Chemical ID:
7015170
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-4-(3-propoxybenzoyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cccc(c3)OCCC
InChi [?]:
InChI=1/C26H31NO6/c1-4-14-32-20-11-9-18(10-12-20)23-22(25(29)26(30)27(23)13-16-31-3)24(28)19-7-6-8-21(17-19)33-15-5-2/h6-12,17,23,29H,4-5,13-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,20,2,32,26,25,27,7,9,6,10,17,3,31,18,29,8,24,5,28,12,11,22,13,14,16,23,21,15,19,4,30/E:(9,10)(11,12)/rA:33cCCCOCCCCCCCCCCONCCOCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s13;s12;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO6
All Atoms:64
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.8682
Area:720.962
Solvation:-7.15584
Coulombic:-66.497
Bond Count [?]
All:35
Single:26
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:453.527
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.4
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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