Basic information
- Standard SMILES
O=C(Nc1ncc(C(c2ccccc2Cl)N2CCC(O)C2)s1)C1(c2ccc3c(c2)OCO3)CC1- InChIKey
OUGLISSDQZYBGK-UHFFFAOYSA-N- Molecular formula
- C25H24ClN3O4S
- Average molar mass
- 498 g/mol
- Monoisotopic mass
- 497.1176051
Names & identifiers
- Preferred name
- 1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]cyclopropanecarboxamide
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-N-[5-[(2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
Names & synonyms
SCHEMBL16909051-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]cyclopropanecarboxamideDB-079376BRD-A03870124-001-01-9BRD-A03870124-001-04-31-(1,3-benzodioxol-5-yl)-N-[5-[(2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
Database identifiers
- PubChem CID
- 53440264
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 758
Related reactions
2 records
Compound notes
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