COC(=O)C1=C(C=C(S1)Br)NC2CCC3(CC2)OCCO3
CAS: 712353-27-0
الاسم: methyl 5-bromo-3-(1,4-dioxaspiro[4.5]decan-8-ylamino)thiophene-2-carboxylate
SMILES: COC(=O)C1=C(C=C(S1)Br)NC2CCC3(CC2)OCCO3

Molecular Processing

Molecular formula
C14H18BrNO4S
Molecular weight
376.27
Exact mass
375.014
XLogP
3.39
TPSA
56.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
83.87

Supplementary Information

InChIKey: JWGYYGHNONYRSO-UHFFFAOYSA-N
مرادفات
5-Bromo-3-(1,4-dioxa-spiro[4.5]dec-8-ylamino)-thiophene-2-carboxylic acid methyl esterSCHEMBL102282JWGYYGHNONYRSO-UHFFFAOYSA-N712353-27-0DB-306453
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