CC1(CC=C(C2=C1C=CC(=C2)C(=O)OC)C3=CC=CS3)C
이름: methyl 5,5-dimethyl-8-thiophen-2-yl-6H-naphthalene-2-carboxylate
SMILES: CC1(CC=C(C2=C1C=CC(=C2)C(=O)OC)C3=CC=CS3)C

Molecular Processing

Molecular formula
C18H18O2S
Molecular weight
298.41
Exact mass
298.1028
XLogP
4.65
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
86.82

Supplementary Information

InChIKey: NFSQBERIGPCWNJ-UHFFFAOYSA-N
동의어
SCHEMBL6293907NFSQBERIGPCWNJ-UHFFFAOYSA-Nmethyl 5,5-dimethyl-5,6-dihydro-8-(2 -thienyl)-2-naphthalenecarboxylatemethyl 5,5-dimethyl-5,6-dihydro-8-(2-thienyl) -2-naphthalenecarboxylateMethyl 5,5-dimethyl-5,6-dihydro-8-(2-thienyl) -naphthalene-2-carboxylatemethyl 5,5-dimethyl-5,6-dihydro-8-(2-thienyl)-2-naphthalenecarboxylateMethyl 5,5-dimethyl-5,6-dihydro-8-(2-thienyl)-naphthalene-2-carboxylatemethyl 5,5-dimethyl-5,6-dihydro-8-(2thienyl)-2-naphthalenecarboxylate
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