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Chemical ID: 6525971
Chemical ID:
6525971
Name [?]:
3-(3,4-dichlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-urea
SMILES [?]:
CN(CCc1ccc(c(c1)OC)OC)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H20Cl2N2O3/c1-22(18(23)21-13-5-6-14(19)15(20)11-13)9-8-12-4-7-16(24-2)17(10-12)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,14,12,6,19,20,7,4,3,10,23,5,18,21,22,8,9,15,25,24,17,2,16,13,11/rA:25nCNCCCCCCCCOCOCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20Cl2N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54389 |
Area: | 604.162 |
Solvation: | -5.56015 |
Coulombic: | -45.3368 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 383.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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