Chemical ID: 6276719

CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3ccco3)n2CC#C
Chemical ID:
6276719
Name [?]:
N-(6-acetamido-3-prop-2-ynyl-benzothiazol-2-ylidene)furan-2-carboxamide
SMILES [?]:
CC(=O)Nc1ccc2c(c1)sc(=NC(=O)c3ccco3)n2CC#C
InChi [?]:
InChI=1/C17H13N3O3S/c1-3-8-20-13-7-6-12(18-11(2)21)10-15(13)24-17(20)19-16(22)14-5-4-9-23-14/h1,4-7,9-10H,8H2,2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:24,1,23,18,17,6,7,22,19,10,2,5,8,16,9,14,12,4,13,21,3,15,20,11/rA:24nCCONCCCCCCSCNCOCCCCONCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;d14;s14;d16;s17;d18;s16s19;s8s12;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.63261
Area:549.832
Solvation:-4.11319
Coulombic:-52.5539
Bond Count [?]
All:26
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:339.37
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.07
LogP (Chemaxon):3.17

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Descriptor Annotations

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