Name: 5-amino-N,N-diethyl-7,10-dimethoxy-2H[1]benzothiopyrano[4,3,2-cd]indazole-2-ethanamine
SMILES:
CCN(CC)CCn1nc2c3c(c(N)ccc31)Sc1c(OC)ccc(OC)c1-2Molecular Processing
Molecular formula
C21H26N4O2S
Molecular weight
398.53
Exact mass
398.1776
XLogP
4.11
TPSA
65.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
114.6
Supplementary Information
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