Chemical ID: 7415103

Cc1c2c(oc1C(=O)N3CCOCC3)CCCC24SCCS4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue