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Chemical ID: 6313283

Chemical ID:

6313283

Name [?]:

1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-urea

SMILES [?]:

COc1cccc(c1OC)CN(C2CCCC2)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C21H26N2O3/c1-25-19-14-8-9-16(20(19)26-2)15-23(18-12-6-7-13-18)21(24)22-17-10-4-3-5-11-17/h3-5,8-11,14,18H,6-7,12-13,15H2,1-2H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,10,24,23,25,15,16,5,6,22,26,14,17,4,11,7,21,13,3,8,18,20,12,19,2,9/E:(4,5)(6,7)(10,11)(12,13)/rA:26nCOCCCCCCOCCNCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;s13s16;s12;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.41696
Area:	548.599
Solvation:	-5.29802
Coulombic:	-45.4032

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	354.443
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.59
LogP (Chemaxon):	4.05

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