CCOC(=O)CSC1=CN=C(S1)NC(=O)N(C2CCCCCC2)C3CCC(CC3)C
Nombre: ethyl 2-[[2-[[cycloheptyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate
SMILES: CCOC(=O)CSC1=CN=C(S1)NC(=O)N(C2CCCCCC2)C3CCC(CC3)C

Molecular Processing

Molecular formula
C22H35N3O3S2
Molecular weight
453.67
Exact mass
453.212
XLogP
5.93
TPSA
71.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.773
Molar refractivity
123.24

Supplementary Information

InChIKey: NEDLFBYPLIDALP-UHFFFAOYSA-N
Sinónimos
SCHEMBL998676SCHEMBL998678NEDLFBYPLIDALP-SAABIXHNSA-N{2-[3-Cycloheptyl-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl ester
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