Methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
Basic information
- CAS
6000-24-4- Standard SMILES
CCCCOc1ccc(C(=O)Nc2ccc(C3C(C(=O)OC)=C(C)N=C4SCCCN43)cc2)cc1- InChIKey
GRPJICVMSPHHMK-UHFFFAOYSA-N- Molecular formula
- C27H31N3O4S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.20352765
Names & identifiers
- Preferred name
- Methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
- IUPAC
- methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
Names & synonyms
6000-24-4methyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylateDTXSID60410621Methyl 6-[4-(4-butoxybenzamido)phenyl]-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylateAKOS021768588
Database identifiers
- CAS
6000-24-4- PubChem CID
- 5215948
- DTXSID
DTXSID60410621
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 813
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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