COC1=C2C(=C(C=C1)C3COCCO3)SC(=N2)NC(=O)OC4=CC=CC=C4
Name: phenyl N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate
SMILES: COC1=C2C(=C(C=C1)C3COCCO3)SC(=N2)NC(=O)OC4=CC=CC=C4

Molecular Processing

Molecular formula
C19H18N2O5S
Molecular weight
386.43
Exact mass
386.0936
XLogP
4
TPSA
78.91
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
101.77

Supplementary Information

InChIKey: CZZQWIBUKVGCCJ-UHFFFAOYSA-N
Synonyms
SCHEMBL5565499CZZQWIBUKVGCCJ-UHFFFAOYSA-N(+)-(7-[1,4]dioxan-2-yl-4-methoxy-benzothiazol-2-yl)-carbamic acid phenyl ester(+)-(7-[1,4]dioxan-2yl-4-methoxy-benzothiazol-2-yl)-carbamic acid phenyl ester
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