C1CNCC2=C1C3=C(N=CN=C3S2)NC4=CC(=CC(=C4)Cl)O.Cl
Name: 3-chloro-5-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-ylamino)phenol;hydrochloride
SMILES: C1CNCC2=C1C3=C(N=CN=C3S2)NC4=CC(=CC(=C4)Cl)O.Cl

Molecular Processing

Molecular formula
C15H14Cl2N4OS
Molecular weight
369.28
Exact mass
368.0265
XLogP
3.86
TPSA
70.07
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
96.47

Supplementary Information

InChIKey: CGZKSOVKFPFLGW-UHFFFAOYSA-N
Synonyme
SCHEMBL938925CGZKSOVKFPFLGW-UHFFFAOYSA-N3-Chloro-5-(5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylamino)phenol hydrochloride
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