CCOC(CN1CCSc2sccc2C1=O)OCC
الاسم: 4-(2,2-diethoxyethyl)-2,3-dihydrothieno[3,2-f]-1,4-thiazepin-5(4H)-one
SMILES: CCOC(CN1CCSc2sccc2C1=O)OCC

Molecular Processing

Molecular formula
C13H19NO3S2
Molecular weight
301.43
Exact mass
301.0806
XLogP
2.7
TPSA
38.77
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
77.99

Supplementary Information

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