Chemical ID: 6365387

c1cnc(nc1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl
Chemical ID:
6365387
Name [?]:
2,2,2-trichloro-1-(4-pyrimidin-2-ylpiperazin-1-yl)-ethanone
SMILES [?]:
c1cnc(nc1)N2CCN(CC2)C(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C10H11Cl3N4O/c11-10(12,13)8(18)16-4-6-17(7-5-16)9-14-2-1-3-15-9/h1-3H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,9,11,8,12,13,4,15,16,17,18,3,5,10,7,14/E:(2,3)(4,5)(6,7)(11,12,13)(14,15)/rA:18nCCNCNCNCCNCCCOCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11Cl3N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.79868
Area:450.769
Solvation:-2.47054
Coulombic:-38.4299
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.579
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.21
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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