COC1=CC2=C(C=C1)SCCNC2
CAS: 145903-31-7
Name: 7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
SMILES: COC1=CC2=C(C=C1)SCCNC2

Molecular Processing

Molecular formula
C10H13NOS
Molecular weight
195.29
Exact mass
195.0718
XLogP
1.89
TPSA
21.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
55.42

Supplementary Information

InChIKey: VXSSDKLUAZVADY-UHFFFAOYSA-N
Synonyme
145903-31-77-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepineDTXSID90473103RefChem:1074461DTXCID004239177-Methoxy-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine2,3,4,5-TETRAHYDRO-7-METHOXY-1,4-BENZOTHIAZEPINE1,4-Benzothiazepine, 2,3,4,5-tetrahydro-7-methoxy-MFCD11112160SCHEMBL629995CHEMBL3933375VXSSDKLUAZVADY-UHFFFAOYSA-NAKOS006307964DS-17791SY278465DB-010707CS-0099179F319749A1-01934F9995-1472
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