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Chemical ID: 4912146
Chemical ID:
4912146
Name [?]:
9-chloro-6-(2-chlorophenyl)-2-(2-dimethylaminoethyl)-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
SMILES [?]:
CN(C)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3Cl)Cl
InChi [?]:
InChI=1/C19H19Cl2N3O/c1-23(2)9-10-24-17-8-7-13(20)11-15(17)19(22-12-18(24)25)14-5-3-4-6-16(14)21/h3-8,11H,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,21,19,22,9,8,4,5,11,15,10,18,12,23,7,16,13,25,24,14,2,6,17/E:(1,2)/rA:25nCNCCCNCCCCCCCNCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s6s15;d16;s13;s18;d19;s20;d21;d18s22;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19Cl2N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6996 |
Area: | 542.556 |
Solvation: | -2.86427 |
Coulombic: | -29.5223 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.279 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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