CCOP(=O)(C)CCNC1=C(SC(=C1)C#CC(C)(C)C)C(=O)OC
名称: methyl 5-(3,3-dimethylbut-1-ynyl)-3-[2-[ethoxy(methyl)phosphoryl]ethylamino]thiophene-2-carboxylate
SMILES: CCOP(=O)(C)CCNC1=C(SC(=C1)C#CC(C)(C)C)C(=O)OC

Molecular Processing

Molecular formula
C17H26NO4PS
Molecular weight
371.44
Exact mass
371.132
XLogP
4.29
TPSA
64.63
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
100.5

Supplementary Information

InChIKey: VHWVPVMSHXQGJC-UHFFFAOYSA-N
同義語
SCHEMBL1441006VHWVPVMSHXQGJC-UHFFFAOYSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-[2-(ethoxy-methyl-phosphinoyl)-ethylamino]-thiophene-2-carboxylic acid methyl ester
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