Nombre: tert-butyl N-[2-[[5-(aminomethyl)thiophene-2-carbonyl]amino]phenyl]carbamate
SMILES:
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN)s1Molecular Processing
Molecular formula
C17H21N3O3S
Molecular weight
347.44
Exact mass
347.1304
XLogP
3.81
TPSA
93.45
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
96.46
Supplementary Information
InChIKey: IEWFCUZOYARFMB-UHFFFAOYSA-N
Sinónimos
SCHEMBL6076256IEWFCUZOYARFMB-UHFFFAOYSA-N{2-[(5-aminomethyl-thiophene-2-carbonyl)-amino]-phenyl}-carbamic acid t-butyl ester
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