3,4-Dihydro-N,N,8-trimethyl-6-[4-[[(1-naphthalenylamino)carbonyl]amino]phenyl]-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
Basic information
- CAS
859458-87-0- Standard SMILES
CC1=C(C(=O)N(C)C)C(c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)N2CCCSC2=N1- InChIKey
JJYLOWYQLHXJMG-UHFFFAOYSA-N- Molecular formula
- C28H29N5O2S
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.20419636
Names & identifiers
- Preferred name
- 3,4-Dihydro-N,N,8-trimethyl-6-[4-[[(1-naphthalenylamino)carbonyl]amino]phenyl]-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide
- IUPAC
- N,N,8-trimethyl-6-[4-(naphthalen-1-ylcarbamoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
Names & synonyms
DTXSID601103196AKOS0374551373,4-Dihydro-N,N,8-trimethyl-6-[4-[[(1-naphthalenylamino)carbonyl]amino]phenyl]-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxamide859458-87-0
Database identifiers
- CAS
859458-87-0- PubChem CID
- 4133764
- DTXSID
DTXSID601103196
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 894
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Compound notes
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