Chemical ID: 4912146

CN(C)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3Cl)Cl
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

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Descriptor Annotations

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