Chemical ID: 7098645

COc1cccc(c1)NC(=O)Nc2cccn(c2=O)Cc3ccccc3Cl
Chemical ID:
7098645
Name [?]:
3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridyl]-1-(3-methoxyphenyl)-urea
SMILES [?]:
COc1cccc(c1)NC(=O)Nc2cccn(c2=O)Cc3ccccc3Cl
InChi [?]:
InChI=1/C20H18ClN3O3/c1-27-16-8-4-7-15(12-16)22-20(26)23-18-10-5-11-24(19(18)25)13-14-6-2-3-9-17(14)21/h2-12H,13H2,1H3,(H2,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,5,15,22,6,4,25,14,16,8,20,21,7,3,26,13,18,10,27,9,12,17,19,11,2/rA:27nCOCCCCCCNCONCCCCNCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;s16;s13s17;d18;s17;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3O3
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.35837
Area:569.066
Solvation:-4.86828
Coulombic:-59.3136
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.828
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.49
LogP (Chemaxon):4.29

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