Chemical ID: 4651379

CCOc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)Cl
Chemical ID:
4651379
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H21ClN2O2/c1-2-28-19-13-9-16(10-14-19)21-15-22-20-5-3-4-6-23(20)29-24(27(22)26-21)17-7-11-18(25)12-8-17/h3-14,22,24H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,16,19,24,28,6,8,25,27,5,9,14,7,23,26,4,15,10,13,20,22,29,11,12,3,21/E:(7,8)(9,10)(11,12)(13,14)/rA:29cCCOCCCCCCCNNCCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s12s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21ClN2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:11.283
Area:621.196
Solvation:-4.24691
Coulombic:-24.2638
Bond Count [?]
All:33
Single:23
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.889
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.37
LogP (Chemaxon):5.67

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Descriptor Annotations

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