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Chemical ID: 7736108
Chemical ID:
7736108
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3cccc(c3)F
InChi [?]:
InChI=1/C19H16FN3O4S/c1-27-17-5-7-18(8-6-17)28(25,26)23-16-9-13(11-21-12-16)19(24)22-15-4-2-3-14(20)10-15/h2-12,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,4,8,5,7,14,27,16,18,15,26,22,13,3,6,19,28,17,21,12,20,10,11,2,9/E:(5,6)(7,8)(25,26)/CRV:28.6/rA:28nCOCCCCCCSOONCCCCNCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s15;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FN3O4S |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.2356 |
Area: | 592.045 |
Solvation: | -5.56553 |
Coulombic: | -47.8769 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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