3-[3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
Basic information
- CAS
10283-32-6- Standard SMILES
O=c1cccc2n1CC1CC2CN(CC(O)CN(CCO)CCO)C1- InChIKey
FDQUPGKJZHDSTL-UHFFFAOYSA-N- Molecular formula
- C18H29N3O4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.21580641
Names & identifiers
- Preferred name
- 3-[3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
- IUPAC
- 11-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
DTXSID10110575910283-32-63-[3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropyl]-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
Database identifiers
- CAS
10283-32-6- PubChem CID
- 165367137
- DTXSID
DTXSID101105759
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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