Chemical ID: 4692864

CN1c2ccsc2C(=NNC(=O)c3c(cccc3F)F)CS1(=O)=O
Chemical ID:
4692864
Name [?]:
2,6-difluoro-N-[(2-methyl-3,3-dioxo-3$l^{6},7-dithia-2-azabicyclo[4.3.0]nona-8,10-dien-5-ylidene)amino]benzamide
SMILES [?]:
CN1c2ccsc2C(=NNC(=O)c3c(cccc3F)F)CS1(=O)=O
InChi [?]:
InChI=1/C14H11F2N3O3S2/c1-19-11-5-6-23-13(11)10(7-24(19,21)22)17-18-14(20)12-8(15)3-2-4-9(12)16/h2-6H,7H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,4,5,21,14,18,8,3,13,7,11,20,19,9,10,2,12,23,24,6,22/E:(3,4)(8,9)(15,16)(21,22)/CRV:24.6/rA:24cCNCCCSCCNNCOCCCCCCFFCSOO/rB:s1;s2;s3;d4;s5;d3s6;s7;w8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s14;s8;s2s21;d22;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F2N3O3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:6.66267
Area:507.532
Solvation:-6.02564
Coulombic:-29.9043
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:371.384
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.81
LogP (Chemaxon):1.41

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