Chemical ID: 6431611

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCOC)O
Chemical ID:
6431611
Name [?]:
3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCOC)O
InChi [?]:
InChI=1/C24H27NO6/c1-15-14-17(8-11-19(15)31-4)22(26)20-21(16-6-9-18(30-3)10-7-16)25(12-5-13-29-2)24(28)23(20)27/h6-11,14,21,27H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,25,9,27,19,23,5,20,22,6,26,28,3,2,18,4,21,7,12,17,10,13,14,16,11,31,15,29,24,8/E:(6,7)(9,10)/rA:31cCCCCCCCOCCOCCCONCCCCCCCOCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s26;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.78079
Area:674.735
Solvation:-8.08759
Coulombic:-64.3759
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.474
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.42
LogP (Chemaxon):2.07

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Descriptor Annotations

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