Chemical ID: 5817771

c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)C=C4C(=O)NC(=N)S4
Chemical ID:
5817771
Name [?]:
5-[(5-benzyloxy-1H-indol-3-yl)methylene]-2-imino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)C=C4C(=O)NC(=N)S4
InChi [?]:
InChI=1/C19H15N3O2S/c20-19-22-18(23)17(25-19)8-13-10-21-16-7-6-14(9-15(13)16)24-11-12-4-2-1-3-5-12/h1-10,21H,11H2,(H2,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,11,18,14,16,7,4,15,9,13,12,19,20,23,24,17,22,21,8,25/E:(2,3)(4,5)/rA:25nCCCCCCCOCCCCCCCCNCCCONCNS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;d15;s12s16;s15;w18;s19;d20;s20;s22;w23;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0139
Area:556.024
Solvation:-3.88666
Coulombic:-53.0598
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:349.407
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.54
LogP (Chemaxon):3.92

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