Basic information
- CAS
89513-72-4- Standard SMILES
CCN(CC)C(=O)N1CCN(c2ncnc3c2NC2=C(S3)C(=O)CC(C)(C)C2)CC1- InChIKey
RVKIMLVOZCWGDB-UHFFFAOYSA-N- Molecular formula
- C21H30N6O2S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.21509539
Names & identifiers
- Preferred name
- 1-Piperazinecarboxamide, N,N-diethyl-4-(6,7,8,9-tetrahydro-7,7-dimethyl-9-oxo-5H-pyrimido(4,5-b)(1,4)benzothiazin-4-yl)-
- IUPAC
- 4-(7,7-dimethyl-9-oxo-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-4-yl)-N,N-diethylpiperazine-1-carboxamide
Names & synonyms
1-Piperazinecarboxamide, N,N-diethyl-4-(6,7,8,9-tetrahydro-7,7-dimethyl-9-oxo-5H-pyrimido(4,5-b)(1,4)benzothiazin-4-yl)-89513-72-4RefChem:1056483BRN 5660059
Database identifiers
- CAS
89513-72-4- PubChem CID
- 24842001
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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