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Chemical ID: 5999704
Chemical ID:
5999704
Name [?]:
N-butyl-N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]cyclobutanecarboxamide
SMILES [?]:
CCCCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)C3CCC3
InChi [?]:
InChI=1/C20H26ClN3O3/c1-2-3-11-22(20(27)15-5-4-6-15)12-18(25)23-13-19(26)24(14-23)17-9-7-16(21)8-10-17/h7-10,15H,2-6,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,26,25,27,17,19,16,20,4,6,10,14,24,18,15,7,11,22,21,5,9,13,8,12,23/E:(5,6)(7,8)(9,10)/rA:27nCCCCNCCONCCONCCCCCCCClCOCCCC/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;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4215 |
Area: | 627.462 |
Solvation: | -4.26502 |
Coulombic: | -49.3723 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.892 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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