الاسم: methyl 3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-5-phenylthiophene-2-carboxylate
SMILES:
COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC3CCC4(CC3)OCCO4Molecular Processing
Molecular formula
C20H23NO4S
Molecular weight
373.47
Exact mass
373.1348
XLogP
4.3
TPSA
56.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
101.61
Supplementary Information
InChIKey: ORNYDMCDCNVKIK-UHFFFAOYSA-N
مرادفات
SCHEMBL2878862ORNYDMCDCNVKIK-UHFFFAOYSA-N3-(1,4-Dioxa-spiro[4.5]dec-8-ylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester
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