CS(=O)(=O)C1=CC=C(C=C1)N(CC2CCCC2)C(=O)NC3=NC(=CS3)CC(=O)O
名称: 2-[2-[[cyclopentylmethyl-(4-methylsulfonylphenyl)carbamoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILES: CS(=O)(=O)C1=CC=C(C=C1)N(CC2CCCC2)C(=O)NC3=NC(=CS3)CC(=O)O

Molecular Processing

Molecular formula
C19H23N3O5S2
Molecular weight
437.54
Exact mass
437.1079
XLogP
3.4
TPSA
116.67
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
111.33

Supplementary Information

InChIKey: SECHCLWZVJEJOT-UHFFFAOYSA-N
同義語
SCHEMBL1241653SECHCLWZVJEJOT-UHFFFAOYSA-N{2-[3-cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]-thiazol-4-yl}-acetic acid{2-[3-cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)-ureido]thiazol-4-yl}-acetic acid{2-[3-cyclopentylmethyl-3-(4-methanesulfonyl-phenyl)ureido]-thiazol-4-yl}-acetic acid{2-[3-cyclopentylmethyl-3-(4-methanesulfonylphenyl)-ureido]-thiazol-4-yl}-acetic acid
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