名称: tert-butyl(7-chloro-4-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethyl)(1-(2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate
SMILES:
COc1ccc2ncc(=O)n(CCN3CCC(N(Cc4nc5c(cc4Cl)SCC(=O)N5C)C(=O)OC(C)(C)C)CC3)c2c1Molecular Processing
Molecular formula
C30H37ClN6O5S
Molecular weight
629.18
Exact mass
628.2235
XLogP
4.42
TPSA
110.1
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
167.17
Supplementary Information
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