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Chemical ID: 7663443
Chemical ID:
7663443
Name [?]:
None
SMILES [?]:
Cc1c2c(oc1C(=O)NC(C)COC)CCCC23SCCS3
InChi [?]:
InChI=1/C16H23NO3S2/c1-10(9-19-3)17-15(18)14-11(2)13-12(20-14)5-4-6-16(13)21-7-8-22-16/h10H,4-9H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:11,1,14,16,15,17,20,21,12,10,2,4,3,6,7,18,9,8,13,5,19,22/E:(7,8)(21,22)/rA:22cCCCCOCCONCCCOCCCCCSCCS/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;s10;s12;s13;s4;s15;s16;s3s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO3S2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.63153 |
Area: | 521.597 |
Solvation: | -3.4084 |
Coulombic: | -40.6659 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.75 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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