CN1CC(OC2=C(C1=S)C=CC3=CC=CC=C32)CCCl
Название: 2-(2-chloroethyl)-4-methyl-2,3-dihydrobenzo[i][1,4]benzoxazepine-5-thione
SMILES: CN1CC(OC2=C(C1=S)C=CC3=CC=CC=C32)CCCl

Molecular Processing

Molecular formula
C16H16ClNOS
Molecular weight
305.83
Exact mass
305.0641
XLogP
3.84
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
88.03

Supplementary Information

InChIKey: DPOZDSIIUFNHBY-UHFFFAOYSA-N
Синонимы
SCHEMBL10368851DPOZDSIIUFNHBY-UHFFFAOYSA-N2-(2-chloroethyl)-2,3-dihydro-4-methylnaphth[2,1-f][1,4]-oxazepine-5(4H)-thione2-(2-Chloroethyl)-2,3-dihydro-4-methylnaphth[2,1-f][1,4]oxazepine-5(4H)-thione
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