Chemical ID: 5624515

COc1cc(cc(c1OC)OC)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
Chemical ID:
5624515
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)c2[nH]c(=O)c3c4c(sc3n2)CCCC4
InChi [?]:
InChI=1/C19H20N2O4S/c1-23-12-8-10(9-13(24-2)16(12)25-3)17-20-18(22)15-11-6-4-5-7-14(11)26-19(15)21-17/h8-9H,4-7H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,10,25,24,26,23,4,6,5,18,3,7,19,17,8,13,15,21,14,22,16,2,11,9,20/E:(1,2)(8,9)(12,13)(23,24)/rA:26nCOCCCCCCOCOCCNCOCCCSCNCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;s14;d15;s15;s17;d18;s19;d17s20;d13s21;s19;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.95673
Area:558.986
Solvation:-6.01791
Coulombic:-48.3103
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.72
LogP (Chemaxon):3.08

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