이름: 8-(3-Sulfamoyl-phenylamino)-4,5-dihydro-thiazolo[4,5-h]quinazoline-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2Molecular Processing
Molecular formula
C18H17N5O4S2
Molecular weight
431.5
Exact mass
431.0722
XLogP
2.27
TPSA
137.16
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
107.6
Supplementary Information
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