(3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
Basic information
- Standard SMILES
C[C@H]1Cc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc2C(=O)O1- InChIKey
PEFDPLMGWUUXPJ-KRWDZBQOSA-N- Molecular formula
- C24H27N7O3
- Average molar mass
- 461.5 g/mol
Names & identifiers
- Preferred name
- (3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
- IUPAC
- (3S)-3-methyl-6-[2-[4-[2-[6-(tetrazol-1-yl)-3-pyridinyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
Names & synonyms
SCHEMBL15191944PEFDPLMGWUUXPJ-KRWDZBQOSA-N(3S)-3-methyl-6-[2-(4-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}piperazin-1-yl)ethyl]-3,4-dihydro-1H-isochromen-1-one
Database identifiers
- PubChem CID
- 86693045
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 717
Related reactions
1 records
Compound notes
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