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Chemical ID: 7415103
Chemical ID:
7415103
Name [?]:
None
SMILES [?]:
Cc1c2c(oc1C(=O)N3CCOCC3)CCCC24SCCS4
InChi [?]:
InChI=1/C16H21NO3S2/c1-11-13-12(3-2-4-16(13)21-9-10-22-16)20-14(11)15(18)17-5-7-19-8-6-17/h2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,10,14,11,13,20,21,2,4,3,6,7,18,9,8,12,5,19,22/E:(5,6)(7,8)(9,10)(21,22)/rA:22nCCCCOCCONCCOCCCCCCSCCS/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;s16;s3s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO3S2 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03566 |
Area: | 487.188 |
Solvation: | -3.14404 |
Coulombic: | -36.4531 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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