Chemical ID: 6883278

c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4cccc(c4Cl)Cl
Chemical ID:
6883278
Name [?]:
N-(2,3-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)Nc4cccc(c4Cl)Cl
InChi [?]:
InChI=1/C20H13Cl2N3O2S/c21-14-7-4-8-15(18(14)22)24-16(26)9-25-11-23-19-17(20(25)27)13(10-28-19)12-5-2-1-3-6-12/h1-8,10-11H,9H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,3,5,24,22,17,8,15,4,7,25,21,18,11,26,10,12,28,27,16,20,14,19,13,9/E:(2,3)(5,6)/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;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13Cl2N3O2S
All Atoms:41
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7594
Area:608.679
Solvation:-3.45756
Coulombic:-44.6858
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):4.12

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Descriptor Annotations

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