Chemical ID: 6883279

c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccc(c(c4)Cl)Cl
Chemical ID:
6883279
Name [?]:
N-(3,4-dichlorophenyl)-2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C20H13Cl2N3O2S/c21-15-7-6-13(8-16(15)22)24-17(26)9-25-11-23-19-18(20(25)27)14(10-28-19)12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,22,23,26,17,8,15,4,21,7,24,25,18,11,10,12,28,27,16,20,14,19,13,9/E:(2,3)(4,5)/rA:28nCCCCCCCCSCCCONCNCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13Cl2N3O2S
All Atoms:41
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5895
Area:613.089
Solvation:-3.73776
Coulombic:-43.9351
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.308
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):4.77

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Descriptor Annotations

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