Chemical ID: 7035918

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCc4ccccc4)Cc5ccncc5)O
Chemical ID:
7035918
Name [?]:
5-(3-benzyloxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCc4ccccc4)Cc5ccncc5)O
InChi [?]:
InChI=1/C31H26N2O5/c1-37-25-12-10-23(11-13-25)29(34)27-28(33(31(36)30(27)35)19-21-14-16-32-17-15-21)24-8-5-9-26(18-24)38-20-22-6-3-2-4-7-22/h2-18,28,35H,19-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,19,26,30,18,20,5,7,4,8,33,37,34,36,22,31,24,32,25,6,17,3,21,11,16,9,12,13,35,15,10,38,14,2,23/E:(3,4)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:38cCOCCCCCCCOCCCONCCCCCCCOCCCCCCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s15;s31;s32;d33;s34;d35;d32s36;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H26N2O5
All Atoms:64
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.7054
Area:766.016
Solvation:-7.44495
Coulombic:-63.8371
Bond Count [?]
All:42
Single:27
Double:15
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:506.549
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.2
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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