Chemical ID: 7063154

Cc1cc(c(c(c1)C)S(=O)(=O)NC2CC3c4c2cccc4CCN3C)C
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

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Descriptor Annotations

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