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Chemical ID: 5999684
Chemical ID:
5999684
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-(2-methoxyethyl)-2-phenoxy-acetamide
SMILES [?]:
COCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)COc3ccccc3
InChi [?]:
InChI=1/C22H24ClN3O5/c1-30-12-11-24(22(29)15-31-19-5-3-2-4-6-19)13-20(27)25-14-21(28)26(16-25)18-9-7-17(23)8-10-18/h2-10H,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,17,19,16,20,4,3,6,10,24,14,18,15,26,7,11,22,21,5,9,13,8,12,23,2,25/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCOCCNCCONCCONCCCCCCCClCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s9s13;s13;s15;d16;s17;d18;d15s19;s18;s5;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24ClN3O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70086 |
Area: | 688.43 |
Solvation: | -7.5099 |
Coulombic: | -64.9188 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 445.896 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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