Chemical ID: 6431999

c1ccc(cc1)COc2ccc(cc2)C3C(=C(C(=O)N3CC4CCCO4)O)C(=O)c5ccc(cc5)Cl
Chemical ID:
6431999
Name [?]:
5-(4-benzyloxyphenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C3C(=C(C(=O)N3CC4CCCO4)O)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C29H26ClNO5/c30-22-12-8-21(9-13-22)27(32)25-26(31(29(34)28(25)33)17-24-7-4-16-35-24)20-10-14-23(15-11-20)36-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,24,26,33H,4,7,16-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,3,5,23,31,35,11,13,32,34,10,14,25,21,7,4,12,30,33,9,22,16,15,28,17,18,36,20,29,27,19,26,8/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:36cCCCCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s22s25;s17;s16;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26ClNO5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:12.6725
Area:753.122
Solvation:-6.15554
Coulombic:-61.4987
Bond Count [?]
All:40
Single:28
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:503.973
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.8
LogP (Chemaxon):4.5

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