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

Molecular Processing

Molecular formula
C11H13ClN2O2
Molecular weight
240.69
Exact mass
240.0666
XLogP
1.54
TPSA
42.43
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
60.95

Supplementary Information

InChIKey: XNMHCMQTWIAATP-UHFFFAOYSA-N
مرادفات
SCHEMBL9750452XNMHCMQTWIAATP-UHFFFAOYSA-N2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepin-5(4H)-one2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepin-5-(4H)one2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-oxazepin-5(4H)-one2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]-oxazepine-5(4H)-one2-(2-chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f][1,4]oxazepine-5(4H)-one
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