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Chemical ID: 6003649
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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