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Chemical ID: 5771415
Chemical ID:
5771415
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N2CC3c4ccccc4CCN3C2C(C)C
InChi [?]:
InChI=1/C21H26N2O2S/c1-15(2)21-22-13-12-17-6-4-5-7-19(17)20(22)14-23(21)26(24,25)18-10-8-16(3)9-11-18/h4-11,15,20-21H,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:25,26,1,17,16,18,15,3,7,4,6,20,21,12,24,2,19,5,14,13,23,22,11,9,10,8/E:(1,2)(8,9)(10,11)(24,25)/CRV:26.6/rA:26cCCCCCCCSOONCCCCCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;s11s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 11.3566 |
Area: | 540.501 |
Solvation: | -2.15598 |
Coulombic: | -15.8258 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.509 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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