Completing data — usually done within a minute
Basic information
- CAS
109545-09-7- Standard SMILES
COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)c2cccnc2)cc1- InChIKey
DSYNMAGEJOOLTQ-UHFFFAOYSA-N- Molecular formula
- C26H27N3O4S
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.17222752
Names & identifiers
- Preferred name
- Sas 1310
- IUPAC
- [5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate
Names & synonyms
Sas 1310109545-09-7Sas-13103-Pyridinecarboxylic acid, 5-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-2-(4-methoxyphenyl)-4-oxo-1,5-benzothiazepin-3-yl esterRefChem:1814813-Nicotinoxy-2,3-dihydro-5,2-(dimethylamino)ethyl-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one[5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylateorb1738026SCHEMBL7902264
Database identifiers
- CAS
109545-09-7- PubChem CID
- 176128
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
1 records
Compound notes
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