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Chemical ID: 5877438

Cc1ccc(cc1)CN(CCc2ccc(cc2Cl)Cl)C(=O)Nc3ccc(cc3)C

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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value