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Chemical ID: 5877438
Chemical ID:
5877438
Name [?]:
1-[2-(2,4-dichlorophenyl)ethyl]-3-(p-tolyl)-1-(p-tolylmethyl)urea
SMILES [?]:
Cc1ccc(cc1)CN(CCc2ccc(cc2Cl)Cl)C(=O)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C24H24Cl2N2O/c1-17-3-7-19(8-4-17)16-28(14-13-20-9-10-21(25)15-23(20)26)24(29)27-22-11-5-18(2)6-12-22/h3-12,15H,13-14,16H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,29,3,7,25,27,4,6,13,14,24,28,11,10,16,8,2,26,5,12,15,23,17,20,19,18,22,9,21/E:(3,4)(5,6)(7,8)(11,12)/rA:29nCCCCCCCCNCCCCCCCCClClCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s9;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24Cl2N2O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3033 |
Area: | 661.818 |
Solvation: | -2.24216 |
Coulombic: | -34.5043 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 427.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.75 |
LogP (Chemaxon): | 7.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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