Basic information
- CAS
62349-05-7- Standard SMILES
CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2- InChIKey
MHZCSURQWKGTCL-UHFFFAOYSA-N- Molecular formula
- C17H24N2O4S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.14567842
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-morpholinoacetamido)-, ethyl ester
- IUPAC
- ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-(2-morpholinoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- Molecular formula
- C17H24N2O4S
- Molecular weight
- 352.45
Names & synonyms
62349-05-7BRN 1159703Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-morpholinoacetamido)-, ethyl esterDTXSID40211395RefChem:326229DTXCID40133886ethyl 2-(2-morpholinoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[2-(morpholin-4-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[(4-morpholinylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(2-morpholin-4-ylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-ca rboxylateethyl 2-[(morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSMR000068969
Show more names
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-(4-morpholinyl)acetyl]amino]-, ethyl ester
MHZCSURQWKGTCL-UHFFFAOYSA-Nethyl 2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatestarbld0024113CBKinase1_000042CBKinase1_012442CBDivE_004539MLS000053005MLS002539566
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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