이름: ethyl 2-[[2-[[cyclohexyl-(4,4-difluorocyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate
SMILES:
CCOC(=O)CSC1=CN=C(S1)NC(=O)N(C2CCCCC2)C3CCC(CC3)(F)FMolecular Processing
Molecular formula
C20H29F2N3O3S2
Molecular weight
461.6
Exact mass
461.1618
XLogP
5.54
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
10
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
114.4
Supplementary Information
InChIKey: WDKSRFYAGHJMCN-UHFFFAOYSA-N
동의어
{2-[3-Cyclohexyl-3-(4,4-difluoro-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid ethyl esterSCHEMBL1001843
6개 반응에 참여→