Chemical ID: 5153790

COc1ccc(cc1OC)C(=O)C2=C(C(=O)N(C2c3ccccc3Cl)CCCCCC(=O)O)O
Chemical ID:
5153790
Name [?]:
6-[2-(2-chlorophenyl)-3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid
SMILES [?]:
COc1ccc(cc1OC)C(=O)C2=C(C(=O)N(C2c3ccccc3Cl)CCCCCC(=O)O)O
InChi [?]:
InChI=1/C25H26ClNO7/c1-33-18-12-11-15(14-19(18)34-2)23(30)21-22(16-8-5-6-9-17(16)26)27(25(32)24(21)31)13-7-3-4-10-20(28)29/h5-6,8-9,11-12,14,22,31H,3-4,7,10,13H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,28,29,21,22,27,20,23,30,5,4,26,7,6,19,24,3,8,31,13,18,11,14,15,25,17,32,33,12,34,16,2,9/E:(28,29)/rA:34cCOCCCCCCOCCOCCCONCCCCCCCClCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s17;s26;s27;s28;s29;s30;d31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26ClNO7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.3375
Area:730.038
Solvation:-7.91347
Coulombic:-83.5318
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:487.929
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.0
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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