Basic information
- CAS
85462-71-1- Standard SMILES
CCOC(=O)c1sc2c(c1OCC(O)CNC(C)C)CCC2- InChIKey
AVSYSNRGJHFIEO-UHFFFAOYSA-N- Molecular formula
- C16H25NO4S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.15042945
Names & identifiers
- Preferred name
- 4H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester
- IUPAC
- ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
- English name
- ethyl 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-thiabicyclo[3.3.0]oc ta-6,9-diene-7-carboxylate
- Molecular formula
- C16H25NO4S
- Molecular weight
- 327.439
Names & synonyms
BRN 606757585462-71-14H-Cyclopenta(b)thiophene-2-carboxylic acid, 5,6-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl esterRefChem:297498DTXSID301005987Ethyl 3-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylateethyl 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-thiabicyclo[3.3.0]oc ta-6,9-diene-7-carboxylate
Database identifiers
- CAS
85462-71-1- PubChem CID
- 3069887
- DTXSID
DTXSID301005987
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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