Chemical ID: 7022798

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCc4ccccc4)CCN(C)C)O)OC
Chemical ID:
7022798
Name [?]:
5-(4-benzyloxy-3-methoxy-phenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCc4ccccc4)CCN(C)C)O)OC
InChi [?]:
InChI=1/C31H34N2O6/c1-20-17-23(37-4)12-13-24(20)29(34)27-28(33(16-15-32(2)3)31(36)30(27)35)22-11-14-25(26(18-22)38-5)39-19-21-9-7-6-8-10-21/h6-14,17-18,28,35H,15-16,19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,35,36,39,23,29,28,30,27,31,17,5,6,18,33,32,3,21,25,2,26,16,4,7,19,20,10,15,8,11,12,34,14,9,37,13,38,22,24/E:(2,3)(7,8)(9,10)/rA:39cCCCCCCCCOCCCONCCCCCCCOCOCCCCCCCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;s14;s32;s33;s34;s34;s11;s4;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34N2O6
All Atoms:73
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:11.241
Area:798.289
Solvation:-8.71618
Coulombic:-70.8802
Bond Count [?]
All:42
Single:30
Double:12
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:530.612
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.68
LogP (Chemaxon):1.18

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Descriptor Annotations

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