CN1CC(OC2=C(C1=S)C=CC(=C2)Cl)CCCl
Nombre: 8-chloro-2-(2-chloroethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepine-5-thione
SMILES: CN1CC(OC2=C(C1=S)C=CC(=C2)Cl)CCCl

Molecular Processing

Molecular formula
C12H13Cl2NOS
Molecular weight
290.21
Exact mass
289.0095
XLogP
3.34
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
75.54

Supplementary Information

InChIKey: RMQKUFANKOCQLP-UHFFFAOYSA-N
Sinónimos
SCHEMBL10368886RMQKUFANKOCQLP-UHFFFAOYSA-N8-chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepine-5 (4H)-thione8-Chloro-2-(2-chloroethyl)-2,3-dihydro-4-methyl-1,4-benzoxazepine-5(4H)-thione
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