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Chemical ID: 6918089
Chemical ID:
6918089
Name [?]:
1-[2-[4-[5-chloro-1-(4-fluorophenyl)-indol-3-yl]-1-piperidyl]ethyl]imidazolidin-2-one
SMILES [?]:
c1cc(ccc1n2cc(c3c2ccc(c3)Cl)C4CCN(CC4)CCN5CCNC5=O)F
InChi [?]:
InChI=1/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
InChi Info:
AuxInfo=1/1/N:13,2,4,1,5,12,18,22,27,19,21,26,23,24,15,8,17,14,3,6,10,9,11,29,16,31,28,20,25,7,30/E:(2,3)(4,5)(7,8)(10,11)/rA:31nCCCCCCNCCCCCCCCClCCCNCCCCNCCNCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s14;s9;s17;s18;s19;s20;s17s21;s20;s23;s24;s25;s26;s27;s25s28;d29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26ClFN4O |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.834 |
Area: | 667.59 |
Solvation: | -3.8558 |
Coulombic: | -45.5939 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 440.941 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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