CC(C)(C)OC(=O)NC1=CSC=C1NC(=O)C2=CC=C(C=C2)CO
名称: tert-butyl N-[4-[[4-(hydroxymethyl)benzoyl]amino]thiophen-3-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC1=CSC=C1NC(=O)C2=CC=C(C=C2)CO

Molecular Processing

Molecular formula
C17H20N2O4S
Molecular weight
348.42
Exact mass
348.1144
XLogP
3.84
TPSA
87.66
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
94.49

Supplementary Information

InChIKey: MUYOJCGUJKUYLM-UHFFFAOYSA-N
同義語
SCHEMBL1482420MUYOJCGUJKUYLM-UHFFFAOYSA-NN-(4-t-butoxycarbonylaminothiophen-3-yl)-4-hydroxymethylbenzamide
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