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7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

CAS: 145903-31-7

Formula: C10H13NOS

SMILES: COC1=CC=C2SCCNCC2=C1

IUPAC: 7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

InChI: InChI=1S/C10H13NOS/c1-12-9-2-3-10-8(6-9)7-11-4-5-13-10/h2-3,6,11H,4-5,7H2,1H3

Composition: C (61.51%), H (6.71%), N (7.17%), O (8.19%), S (16.42%)

Molar Mass: 195.28

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.071785217
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VXSSDKLUAZVADY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.76
Topological Polar Surface Area 21.26
Polarizability 22.21
Ring Count 2
Rotatable Bond Count 1

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