Chemical ID: 7398900

Cc1ccsc1C=C2C(=O)c3ccc(c(c3O2)CN4CCCC4)O
Chemical ID:
7398900
Name [?]:
6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one
SMILES [?]:
Cc1ccsc1C=C2C(=O)c3ccc(c(c3O2)CN4CCCC4)O
InChi [?]:
InChI=1/C19H19NO3S/c1-12-6-9-24-17(12)10-16-18(22)13-4-5-15(21)14(19(13)23-16)11-20-7-2-3-8-20/h4-6,9-10,21H,2-3,7-8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,12,13,3,20,23,4,7,18,2,11,15,14,8,6,9,16,19,24,10,17,5/E:(2,3)(7,8)/rA:24nCCCCSCCCCOCCCCCCOCNCCCCO/rB:s1;s2;d3;s4;d2s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s15;s18;s19;s20;s21;s19s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO3S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.17227
Area:509.844
Solvation:-3.57381
Coulombic:-38.2355
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:341.425
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.65
LogP (Chemaxon):3.14

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