Chemical ID: 5782285

Cc1ccc2nc(c(c(=O)n2c1)C=Nc3ccc(cc3)Cl)Nc4ccc(cc4)Cl
Chemical ID:
5782285
Name [?]:
3-(4-chlorophenyl)amino-4-[(4-chlorophenyl)iminomethyl]-8-methyl-2,6-diazabicyclo[4.4.0]deca-1,3,7,9-tetraen-5-one
SMILES [?]:
Cc1ccc2nc(c(c(=O)n2c1)C=Nc3ccc(cc3)Cl)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H16Cl2N4O/c1-14-2-11-20-27-21(26-18-9-5-16(24)6-10-18)19(22(29)28(20)13-14)12-25-17-7-3-15(23)4-8-17/h2-13,26H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,17,19,25,27,16,20,24,28,4,13,12,2,18,26,15,23,8,5,7,9,21,29,14,22,6,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCCCCNCCCONCCNCCCCCCClNCCCCCCCl/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s5s9;d2s11;s8;w13;s14;s15;d16;s17;d18;d15s19;s18;s7;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16Cl2N4O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6542
Area:602.869
Solvation:-2.41749
Coulombic:-40.8138
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:423.294
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):6.48

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Descriptor Annotations

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