Chemical ID: 6918089

c1cc(ccc1n2cc(c3c2ccc(c3)Cl)C4CCN(CC4)CCN5CCNC5=O)F
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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