CN1CC(OC2=C(C1=S)C=CC=N2)CCCl
الاسم: 2-(2-chloroethyl)-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
SMILES: CN1CC(OC2=C(C1=S)C=CC=N2)CCCl

Molecular Processing

Molecular formula
C11H13ClN2OS
Molecular weight
256.76
Exact mass
256.0437
XLogP
2.08
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.455
Molar refractivity
68.32

Supplementary Information

InChIKey: WVSHDPAFBXVZGC-UHFFFAOYSA-N
مرادفات
SCHEMBL10369025WVSHDPAFBXVZGC-UHFFFAOYSA-N2-(2-Chlorethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]oxazepine-5(4H)-thione2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-oxazepine-5(4H)-thione2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-oxazepine-5(4H)thione2-(2-Chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]oxazepine-5(4H)-thione2-(2-chloroethyl)-2,5-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione2-(chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione2-(chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)thione2-chloroethyl-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione
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