Chemical ID: 4565046

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCCOC)O
Chemical ID:
4565046
Name [?]:
3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCCOC)O
InChi [?]:
InChI=1/C23H25NO6/c1-14-13-16(7-10-18(14)30-3)21(26)19-20(15-5-8-17(25)9-6-15)24(11-4-12-29-2)23(28)22(19)27/h5-10,13,20,25,27H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,9,26,19,23,5,20,22,6,25,27,3,2,18,4,21,7,12,17,10,13,14,16,24,11,30,15,28,8/E:(5,6)(8,9)/rA:30cCCCCCCCOCCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s16;s25;s26;s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.61244
Area:653.36
Solvation:-7.72156
Coulombic:-73.0878
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.448
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.1
LogP (Chemaxon):2.04

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Descriptor Annotations

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