Chemical ID: 4552329

c1ccc(cc1)NC(=O)N(CCCN2CCOCC2)Cc3ccccc3F
Chemical ID:
4552329
Name [?]:
1-[(2-fluorophenyl)methyl]-1-(3-morpholinopropyl)-3-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)N(CCCN2CCOCC2)Cc3ccccc3F
InChi [?]:
InChI=1/C21H26FN3O2/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:27nCCCCCCNCONCCCNCCOCCCCCCCCCF/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:C21H26FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2891
Area:596.044
Solvation:-4.61195
Coulombic:-48.8208
Bond Count [?]
All:29
Single:22
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.449
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):3.2

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Descriptor Annotations

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