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Chemical ID: 5999798
Chemical ID:
5999798
Name [?]:
3-cyclopentyl-N-cyclopropyl-N-[[3-(4-fluorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]propanamide
SMILES [?]:
c1cc(ccc1N2CN(CC2=O)C(=O)CN(C3CC3)C(=O)CCC4CCCC4)F
InChi [?]:
InChI=1/C22H28FN3O3/c23-17-6-8-19(9-7-17)26-15-24(13-22(26)29)21(28)14-25(18-10-11-18)20(27)12-5-16-3-1-2-4-16/h6-9,16,18H,1-5,10-15H2
InChi Info:
AuxInfo=1/0/N:26,27,25,28,23,2,4,1,5,18,19,22,10,15,8,24,3,17,6,20,13,11,29,9,16,7,21,14,12/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:29nCCCCCCNCNCCOCOCNCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;d11;s9;d13;s13;s15;s16;s17;s17s18;s16;d20;s20;s22;s23;s24;s25;s26;s24s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28FN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7421 |
Area: | 639.317 |
Solvation: | -5.24086 |
Coulombic: | -51.6649 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 401.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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