Chemical ID: 4210845

c1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
Chemical ID:
4210845
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
InChi [?]:
InChI=1/C19H16N2O3S/c22-18(20-12-14-6-2-1-3-7-14)13-21-16-10-4-8-15-9-5-11-17(19(15)16)25(21,23)24/h1-11H,12-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,21,3,5,16,22,14,20,7,11,4,17,13,19,9,18,8,12,10,24,25,23/E:(2,3)(6,7)(23,24)/CRV:25.6/rA:25cCCCCCCCNCOCNCCCCCCCCCCSOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s12s19;d23;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.67649
Area:538.558
Solvation:-3.78747
Coulombic:-29.8239
Bond Count [?]
All:28
Single:17
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.4
LogP (Chemaxon):2.51

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