Name: 7-chloro-2,3,4,5-tetrahydro-5-phenyl-2,5-epithio-1H-1,4-benzodiazepine
SMILES:
Clc1ccc2c(c1)C1(c3ccccc3)NCC(N2)S1Molecular Processing
Molecular formula
C15H13ClN2S
Molecular weight
288.8
Exact mass
288.0488
XLogP
3.63
TPSA
24.06
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
81.68
Supplementary Information
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