Chemical ID: 5607505

c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)NC(=O)N
Chemical ID:
5607505
Name [?]:
N-carbamoyl-2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)NC(=O)N
InChi [?]:
InChI=1/C10H9N3O5S/c11-10(16)12-8(14)5-13-9(15)6-3-1-2-4-7(6)19(13,17)18/h1-4H,5H2,(H3,11,12,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,5,4,14,7,17,19,16,9,15,8,18,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCCONSOOCCONCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;d10;s9;s13;d14;s14;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3O5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.16155
Area:432.551
Solvation:-5.65222
Coulombic:-60.5649
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.262
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:-0.66
LogP (Chemaxon):-0.99

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