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Chemical ID: 6006151
Chemical ID:
6006151
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-2-ethyl-N-methyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(C)CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C20H28ClN3O3/c1-4-6-7-15(5-2)20(27)22(3)12-18(25)23-13-19(26)24(14-23)17-10-8-16(21)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,11,2,6,3,4,23,25,22,26,12,16,20,5,24,21,13,17,8,27,10,15,19,14,18,9/E:(8,9)(10,11)/rA:27cCCCCCCCCONCCCONCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s10;s12;d13;s13;s15;s16;d17;s17;s15s19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5929 |
Area: | 632.993 |
Solvation: | -4.23197 |
Coulombic: | -49.7572 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 393.907 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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