Chemical ID: 6766623

c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccccn4
Chemical ID:
6766623
Name [?]:
2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-N-(2-pyridyl)acetamide
SMILES [?]:
c1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)Nc4ccccn4
InChi [?]:
InChI=1/C19H14N4O2S/c24-16(22-15-8-4-5-9-20-15)10-23-12-21-18-17(19(23)25)14(11-26-18)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,17,8,15,4,7,21,18,11,10,12,26,16,20,14,19,13,9/E:(2,3)(6,7)/rA:26nCCCCCCCCSCCCONCNCCONCCCCCN/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N4O2S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.67828
Area:547.324
Solvation:-5.00483
Coulombic:-46.2218
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.406
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.26
LogP (Chemaxon):3.12

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