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Chemical ID: 6911902
Chemical ID:
6911902
Name [?]:
None
SMILES [?]:
CC(=O)N1CN(Cc2c1sc3c2CCCC3)C(C)(C)C
InChi [?]:
InChI=1/C16H24N2OS/c1-11(19)18-10-17(16(2,3)4)9-13-12-7-5-6-8-14(12)20-15(13)18/h5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,14,15,13,16,7,5,2,12,8,11,9,17,6,4,3,10/E:(2,3,4)/rA:20cCCONCNCCCSCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;s10;s8d11;s12;s13;s14;s11s15;s6;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2OS |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.48163 |
Area: | 461.263 |
Solvation: | -2.04994 |
Coulombic: | -20.6043 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.441 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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