Chemical ID: 5976744

CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)Nc3cccc(c3)C#N
Chemical ID:
5976744
Name [?]:
3-(3-cyanophenyl)-1-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-urea
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)Nc3cccc(c3)C#N
InChi [?]:
InChI=1/C21H23N5O2/c1-25(2)19-9-8-17(13-18(19)20(27)26-10-3-4-11-26)24-21(28)23-16-7-5-6-15(12-16)14-22/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,23,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,23,24,22,6,5,13,16,26,8,27,25,21,7,9,4,10,18,28,20,17,2,12,11,19/E:(1,2)(3,4)(10,11)/rA:28nCNCCCCCCCCONCCCCNCONCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s12s15;s7;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8645
Area:610.961
Solvation:-4.40957
Coulombic:-59.6215
Bond Count [?]
All:30
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.44
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.47
LogP (Chemaxon):3.05

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Descriptor Annotations

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