Nombre: ethyl 2-[2-cyclopentylethyl-[2-[(3-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]amino]acetate
SMILES:
CCOC(=O)CN(CCC1CCCC1)C(=O)N2CCCC2C(=O)NC3=CC(=CC=C3)OMolecular Processing
Molecular formula
C23H33N3O5
Molecular weight
431.53
Exact mass
431.242
XLogP
3.36
TPSA
99.18
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
116.64
Supplementary Information
InChIKey: JKMQTPQXTARDCQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL6408340JKMQTPQXTARDCQ-UHFFFAOYSA-Nethyl 2-[N-(2-(cyclopentyl)ethyl)-N-[2-(3-hydroxyphenyl)aminocarbonyl-pyrrolidin-1-carbonyl)amino]acetate
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