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Chemical ID: 7063154
Chemical ID:
7063154
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)NC2CC3c4c2cccc4CCN3C)C
InChi [?]:
InChI=1/C21H26N2O2S/c1-13-10-14(2)21(15(3)11-13)26(24,25)22-18-12-19-20-16(8-9-23(19)4)6-5-7-17(18)20/h5-7,10-11,18-19,22H,8-9,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,26,25,19,20,18,22,23,7,3,14,2,6,4,21,17,13,15,16,5,12,24,10,11,9/E:(2,3)(10,11)(14,15)(24,25)/CRV:26.6/rA:26cCCCCCCCCSOONCCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s13s16;d17;s18;d19;d16s20;s21;s22;s15s23;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2S |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.9555 |
Area: | 533.021 |
Solvation: | -2.36999 |
Coulombic: | -18.7839 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.509 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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