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Chemical ID: 7258055

Chemical ID:

7258055

Name [?]:

3-(3-chloro-4-methyl-phenyl)-1-[(4-ethoxyphenyl)methyl]-1-methyl-urea

SMILES [?]:

CCOc1ccc(cc1)CN(C)C(=O)Nc2ccc(c(c2)Cl)C

InChi [?]:

InChI=1/C18H21ClN2O2/c1-4-23-16-9-6-14(7-10-16)12-21(3)18(22)20-15-8-5-13(2)17(19)11-15/h5-11H,4,12H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,12,2,18,6,8,17,5,9,21,10,19,7,16,4,20,13,22,15,11,14,3/E:(6,7)(9,10)/rA:23nCCOCCCCCCCNCCONCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁ClN₂O₂
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.525
Area:	550.886
Solvation:	-3.2471
Coulombic:	-39.0506

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.824
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.95
LogP (Chemaxon):	4.45

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

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Chemical Mix	Source	External ID	Descriptor	Value