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Chemical ID: 5999676
Chemical ID:
5999676
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-cyclopropyl-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N2CC(=O)N(C2)c3ccc(cc3)Cl)C4CC4
InChi [?]:
InChI=1/C23H24ClN3O3/c1-2-16-3-5-17(6-4-16)23(30)26(19-11-12-19)14-21(28)25-13-22(29)27(15-25)20-9-7-18(24)8-10-20/h3-10,19H,2,11-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,23,25,22,26,29,30,16,12,20,3,6,24,28,21,13,17,9,27,15,11,19,14,18,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCCONCCONCCONCCCCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s17;s15s19;s19;s21;d22;s23;d24;d21s25;s24;s11;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9751 |
Area: | 650.423 |
Solvation: | -4.28551 |
Coulombic: | -50.7965 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.908 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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