Chemical ID: 5375691

c1cc(c(cc1C(=O)Nc2nc3c(s2)CCCC3)S(=O)(=O)N4CCOCC4)F
Chemical ID:
5375691
Name [?]:
4-fluoro-3-morpholinosulfonyl-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide
SMILES [?]:
c1cc(c(cc1C(=O)Nc2nc3c(s2)CCCC3)S(=O)(=O)N4CCOCC4)F
InChi [?]:
InChI=1/C18H20FN3O4S2/c19-13-6-5-12(11-16(13)28(24,25)22-7-9-26-10-8-22)17(23)21-18-20-14-3-1-2-4-15(14)27-18/h5-6,11H,1-4,7-10H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:17,16,18,15,1,2,23,27,24,26,5,6,3,12,13,4,7,10,28,11,9,22,8,20,21,25,14,19/E:(7,8)(9,10)(24,25)/CRV:28.6/rA:28nCCCCCCCONCNCCSCCCCSOONCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;s12s17;s4;d19;d19;s19;s22;s23;s24;s25;s22s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FN3O4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.1999
Area:600.664
Solvation:-5.81669
Coulombic:-43.6461
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.5
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.98
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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