Name: methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(3-phenylmethoxycyclobutyl)amino]thiophene-2-carboxylate
SMILES:
CC(C)(C)C#CC1=CC(=C(S1)C(=O)OC)NC2CC(C2)OCC3=CC=CC=C3Molecular Processing
Molecular formula
C23H27NO3S
Molecular weight
397.54
Exact mass
397.1712
XLogP
5.09
TPSA
47.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
113.66
Supplementary Information
InChIKey: KXDZSZAGDXNXMC-UHFFFAOYSA-N
Synonyme
SCHEMBL938818KXDZSZAGDXNXMC-UHFFFAOYSA-N3-(3-benzyloxy-cyclobutylamino)-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl ester
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