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Chemical ID: 7667885
Chemical ID:
7667885
Name [?]:
None
SMILES [?]:
CC1(CC(=O)CC(C1NC(=S)Nc2ccccc2)(C)C)C
InChi [?]:
InChI=1/C17H24N2OS/c1-16(2)10-13(20)11-17(3,4)14(16)19-15(21)18-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3,(H2,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,19,20,16,15,17,14,18,3,6,13,4,8,10,2,7,12,9,5,11/E:(1,2,3,4)(6,7)(8,9)(10,11)(16,17)/rA:21nCCCCOCCCNCSNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s2s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s7;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2OS |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.73847 |
Area: | 478.828 |
Solvation: | -2.23224 |
Coulombic: | -33.1069 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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