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Chemical ID: 4755734
Chemical ID:
4755734
Name [?]:
3-(3,5-dichlorophenyl)-1-methyl-1-[2-(2-pyridyl)ethyl]urea
SMILES [?]:
CN(CCc1ccccn1)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O/c1-20(7-5-13-4-2-3-6-18-13)15(21)19-14-9-11(16)8-12(17)10-14/h2-4,6,8-10H,5,7H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,4,9,3,17,15,19,16,18,5,14,11,21,20,10,13,2,12/E:(9,10)(11,12)(16,17)/rA:21nCNCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1391 |
Area: | 533.674 |
Solvation: | -2.20272 |
Coulombic: | -35.9201 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.205 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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