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Chemical ID: 7415905
Chemical ID:
7415905
Name [?]:
None
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H17ClF3NO4S/c20-16-3-2-14(10-15(16)19(21,22)23)29(25,26)24-5-4-12-8-17-18(9-13(12)11-24)28-7-1-6-27-17/h2-3,8-10H,1,4-7,11H2
InChi Info:
AuxInfo=1/0/N:22,1,2,12,11,23,21,14,17,5,19,13,18,6,4,3,15,16,25,29,26,27,28,10,8,9,24,20,7/E:(21,22,23)(25,26)/CRV:29.6/rA:29cCCCCCCSOONCCCCCCCCCOCCCOCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s16;s20;s21;s22;s15s23;s4;s25;s25;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClF3NO4S |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.6711 |
Area: | 574.348 |
Solvation: | -5.6876 |
Coulombic: | -39.7777 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 447.857 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.19 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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