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Chemical ID: 7063124
Chemical ID:
7063124
Name [?]:
None
SMILES [?]:
CN1CCc2cccc3c2C1CN(C3)S(=O)(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C18H19ClN2O2S/c1-20-10-9-13-3-2-4-14-11-21(12-17(20)18(13)14)24(22,23)16-7-5-15(19)6-8-16/h2-8,17H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,20,22,19,23,4,3,14,12,5,9,21,18,11,10,24,2,13,16,17,15/E:(5,6)(7,8)(22,23)/CRV:24.6/rA:24cCNCCCCCCCCCCNCSOOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;s13;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O2S |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.7278 |
Area: | 523.372 |
Solvation: | -2.35652 |
Coulombic: | -14.6298 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 362.874 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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