Chemical ID: 5441342

CC(=O)c1ccccc1NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
Chemical ID:
5441342
Name [?]:
None
SMILES [?]:
CC(=O)c1ccccc1NC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
InChi [?]:
InChI=1/C20H16N2O4S/c1-13(23)15-8-2-3-9-16(15)21-19(24)12-22-17-10-4-6-14-7-5-11-18(20(14)17)27(22,25)26/h2-11H,12H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,6,7,17,23,18,24,5,8,16,22,13,2,19,4,9,15,21,11,20,10,14,3,12,26,27,25/E:(25,26)/CRV:27.6/rA:27cCCOCCCCCCNCOCNCCCCCCCCCCSOO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s14s21;d25;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.33309
Area:551.08
Solvation:-4.44391
Coulombic:-35.6687
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.418
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.53
LogP (Chemaxon):2.85

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