CCNC(=O)NC1=NC2=C(S1)C(=O)CCC2
Название: 1-ethyl-3-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)urea
SMILES: CCNC(=O)NC1=NC2=C(S1)C(=O)CCC2

Molecular Processing

Molecular formula
C10H13N3O2S
Molecular weight
239.3
Exact mass
239.0728
XLogP
1.8
TPSA
71.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
62.08

Supplementary Information

InChIKey: FARGMVUNDQKJMG-UHFFFAOYSA-N
Синонимы
1-(7-Oxo-4,5,6,7-tetrahydro-2-benzothiazolyl)-3-ethyl-ureaSCHEMBL6067925FARGMVUNDQKJMG-UHFFFAOYSA-NN-ethyl-N'-(7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
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