Chemical ID: 4203848

COc1ccc(cc1)CNC(=O)Nc2ccc(c(c2)Cl)Cl
Chemical ID:
4203848
Name [?]:
3-(3,4-dichlorophenyl)-1-[(4-methoxyphenyl)methyl]urea
SMILES [?]:
COc1ccc(cc1)CNC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H14Cl2N2O2/c1-21-12-5-2-10(3-6-12)9-18-15(20)19-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,7,15,4,8,16,19,9,6,14,3,17,18,11,21,20,10,13,12,2/E:(2,3)(5,6)/rA:21nCOCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14Cl2N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.98832
Area:529.963
Solvation:-3.26074
Coulombic:-43.4464
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.189
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):3.91

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