Chemical ID: 6851424

c1ccc2cc(ccc2c1)c3csc4c3c(=O)n(cn4)CC(=O)Nc5cccc(c5Cl)Cl
Chemical ID:
6851424
Name [?]:
N-(2,3-dichlorophenyl)-2-[7-(2-naphthyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)c3csc4c3c(=O)n(cn4)CC(=O)Nc5cccc(c5Cl)Cl
InChi [?]:
InChI=1/C24H15Cl2N3O2S/c25-18-6-3-7-19(22(18)26)28-20(30)11-29-13-27-23-21(24(29)31)17(12-32-23)16-9-8-14-4-1-2-5-15(14)10-16/h1-10,12-13H,11H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,27,10,3,28,26,8,7,5,21,12,19,9,4,6,11,29,25,22,15,30,14,16,32,31,20,24,18,23,17,13/rA:32nCCCCCCCCCCCCSCCCONCNCCONCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s12;s13;s11d14;s15;d16;s16;s18;s14d19;s18;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15Cl2N3O2S
All Atoms:47
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.0425
Area:668.906
Solvation:-3.6801
Coulombic:-45.294
Bond Count [?]
All:36
Single:23
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:480.366
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.3
LogP (Chemaxon):5.12

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Descriptor Annotations

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