Chemical ID: 6883336

Cc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccc(c(c4)Cl)Cl
Chemical ID:
6883336
Name [?]:
N-(3,4-dichlorophenyl)-2-[5-oxo-7-(p-tolyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl2N3O2S/c1-12-2-4-13(5-3-12)15-10-29-20-19(15)21(28)26(11-24-20)9-18(27)25-14-6-7-16(22)17(23)8-14/h2-8,10-11H,9H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,23,24,27,18,9,16,2,5,22,8,25,26,19,12,11,13,29,28,17,21,15,20,14,10/E:(2,3)(4,5)/rA:29nCCCCCCCCCSCCCONCNCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s15;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15Cl2N3O2S
All Atoms:44
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.1
Area:635.069
Solvation:-3.77674
Coulombic:-43.6754
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.334
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):5.23

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Descriptor Annotations

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