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Chemical ID: 7098645
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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