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Chemical ID: 5375691
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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