Basic information
- CAS
6043-75-0- Standard SMILES
CC1=C(C(=O)OCCc2ccccc2)C(c2ccc(C)s2)NC(=O)N1- InChIKey
CWVLCSKZEFSUIZ-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.11946368
Names & identifiers
- Preferred name
- AK-968/15360997
- IUPAC
- 2-phenylethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
6043-75-0DTXSID10387137AK-968/15360997RefChem:317913DTXCID603381592-phenylethyl 6-methyl-4-(5-methyl-2-thienyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate2-phenylethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateCBMicro_043656Oprea1_570264STK002580AKOS001634943AKOS021990924
Show more names
2-phenylethyl 6-methyl-4-(5-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateBIM-0043642.P001EU-0038332SR-01000433726SR-01000433726-1
Database identifiers
- CAS
6043-75-0- PubChem CID
- 2881982
- DTXSID
DTXSID10387137
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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