Chemical ID: 4151821

CN1CCN(CC1)C2=C(C(=O)N(C2=O)c3cccc(c3)Cl)Cl
Chemical ID:
4151821
Name [?]:
3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)-pyrrole-2,5-dione
SMILES [?]:
CN1CCN(CC1)C2=C(C(=O)N(C2=O)c3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,3,7,4,6,20,19,15,9,8,10,13,21,22,2,5,12,11,14/E:(5,6)(7,8)/rA:22nCNCCNCCCCCONCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;d10;s10;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15Cl2N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4014
Area:507.786
Solvation:-2.29329
Coulombic:-39.2876
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.204
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.37
LogP (Chemaxon):1.77

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