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Chemical ID: 7063136
Chemical ID:
7063136
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)S(=O)(=O)N2Cc3cccc4c3C(C2)N(CC4)C)C
InChi [?]:
InChI=1/C21H26N2O2S/c1-14-10-15(2)21(16(3)11-14)26(24,25)23-12-18-7-5-6-17-8-9-22(4)19(13-23)20(17)18/h5-7,10-11,19H,8-9,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,26,25,16,17,15,24,23,7,3,13,21,2,6,4,18,14,20,19,5,22,12,10,11,9/E:(2,3)(10,11)(15,16)(24,25)/CRV:26.6/rA:26cCCCCCCCCSOONCCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;s20;s22;s18s23;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2S |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.8642 |
Area: | 522.773 |
Solvation: | -2.20515 |
Coulombic: | -14.6358 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.509 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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