名称: 3-(chloromethyl)-8-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILES:
C1CN(CCC12OCC(O2)CCl)CC3=CN=C(S3)ClMolecular Processing
Molecular formula
C12H16Cl2N2O2S
Molecular weight
323.25
Exact mass
322.031
XLogP
2.74
TPSA
34.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
75.91
Supplementary Information
InChIKey: FTZXVWOELAPECC-UHFFFAOYSA-N
同義語
SCHEMBL486680FTZXVWOELAPECC-UHFFFAOYSA-N2-chloromethyl-8-(2-chloro-5-thiazolyl)methyl-1,4-dioxa-8-azaspiro[4,5]decane
1 件の反応に参加→