Basic information
- Standard SMILES
O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CSCCN43)CC2)cc1- InChIKey
UHFLBVRQGQYQSY-QFIPXVFZSA-N- Molecular formula
- C25H30N6O2S
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.21509539
Names & identifiers
- Preferred name
- (R)-N-cyclopropyl-4-(4-((6-oxo-5,6,6a,7,9,10-hexahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
- IUPAC
- N-cyclopropyl-4-[4-[[(10R)-9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]benzamide
Names & synonyms
SCHEMBL707773UHFLBVRQGQYQSY-QFIPXVFZSA-N(R)-N-cyclopropyl-4-(4-((6-oxo-5,6,6a,7,9,10-hexahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide
Database identifiers
- PubChem CID
- 46864483
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 750
Related reactions
5 records
Compound notes
Loading…