Chemical ID: 7035039

c1ccc(cc1)COc2cccc(c2)C3C(=C(C(=O)N3Cc4ccco4)O)C(=O)c5ccc(cc5)Cl
Chemical ID:
7035039
Name [?]:
5-(3-benzyloxyphenyl)-4-(4-chlorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)C3C(=C(C(=O)N3Cc4ccco4)O)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C29H22ClNO5/c30-22-13-11-20(12-14-22)27(32)25-26(31(29(34)28(25)33)17-24-10-5-15-35-24)21-8-4-9-23(16-21)36-18-19-6-2-1-3-7-19/h1-16,26,33H,17-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,24,3,5,12,10,23,31,35,32,34,25,14,21,7,4,30,13,33,9,22,16,15,28,17,18,36,20,29,27,19,26,8/E:(2,3)(6,7)(11,12)(13,14)/rA:36cCCCCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;d18;s15s18;s20;s21;d22;s23;d24;s22s25;s17;s16;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H22ClNO5
All Atoms:58
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.058
Area:717.56
Solvation:-6.88097
Coulombic:-59.3193
Bond Count [?]
All:40
Single:26
Double:14
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:499.941
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.85
LogP (Chemaxon):4.99

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Descriptor Annotations

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