Chemical ID: 5720280

Cc1ccc2c(cc(=O)oc2c1)COC(=O)CSc3ccc4ccccc4c3
Chemical ID:
5720280
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-naphthylsulfanyl)acetate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)CSc3ccc4ccccc4c3
InChi [?]:
InChI=1/C23H18O4S/c1-15-6-9-20-18(12-22(24)27-21(20)10-15)13-26-23(25)14-28-19-8-7-16-4-2-3-5-17(16)11-19/h2-12H,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,26,3,21,20,4,12,28,7,13,17,2,22,27,6,19,5,11,8,15,9,16,14,10,18/rA:28nCCCCCCCCOOCCCOCOCSCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5667
Area:616.847
Solvation:-3.85449
Coulombic:-39.9081
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:390.453
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.28
LogP (Chemaxon):5.27

Name Annotations

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Descriptor Annotations

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