Chemical ID: 6003649

Cc1ccc(cc1)N2CN(CC2=O)C(=O)CN(C(C)C)C(=O)c3ccccc3Cl
Chemical ID:
6003649
Name [?]:
2-chloro-N-isopropyl-N-[[4-oxo-3-(p-tolyl)imidazolidin-1-yl]carbonylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)N2CN(CC2=O)C(=O)CN(C(C)C)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C22H24ClN3O3/c1-15(2)25(22(29)18-6-4-5-7-19(18)23)13-20(27)24-12-21(28)26(14-24)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,20,1,25,26,24,27,3,7,4,6,11,16,9,18,2,5,23,28,14,12,21,29,10,17,8,15,13,22/E:(1,2)(8,9)(10,11)/rA:29nCCCCCCCNCNCCOCOCNCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;s18;s18;s17;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClN3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.6299
Area:610.004
Solvation:-4.62015
Coulombic:-50.4154
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.897
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.63
LogP (Chemaxon):3.14

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Descriptor Annotations

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