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Chemical ID: 5769375
Chemical ID:
5769375
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cccc2C3C4CC=CC4c5cc(ccc5N3)S(=O)(=O)N
InChi [?]:
InChI=1/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,14,6,7,3,15,9,13,20,21,18,5,19,4,16,10,12,17,22,11,27,23,25,26,24/E:(25,26)/CRV:27.6/rA:27cCCCCCCCCCCCCCCCCCCCCCCNSOON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s11s22;s19;d24;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.9625 |
Area: | 545.917 |
Solvation: | -2.68543 |
Coulombic: | -31.3297 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 376.472 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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