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Chemical ID: 6312777

c1ccc(cc1)NC(=O)N(CCCN2CCOCC2)Cc3ccccc3Cl

Chemical ID:

6312777

Name [?]:

1-[(2-chlorophenyl)methyl]-1-(3-morpholinopropyl)-3-phenyl-urea

SMILES [?]:

c1ccc(cc1)NC(=O)N(CCCN2CCOCC2)Cc3ccccc3Cl

InChi [?]:

InChI=1/C21H26ClN3O2/c22-20-10-5-4-7-18(20)17-25(12-6-11-24-13-15-27-16-14-24)21(26)23-19-8-2-1-3-9-19/h1-5,7-10H,6,11-17H2,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,24,12,22,3,5,25,13,11,15,19,16,18,20,21,4,26,8,27,7,14,10,9,17/E:(2,3)(8,9)(13,14)(15,16)/rA:27nCCCCCCNCONCCCNCCOCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆ClN₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8375
Area:	623.976
Solvation:	-3.76195
Coulombic:	-45.9483

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	387.903
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.2
LogP (Chemaxon):	3.58

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