tetrahydro-1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-but-3-enyl-6-(N-methyl-N-cyclohexylcarbamoyloxy)-2(1H)-pyrimidinone
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Basic information
- Standard SMILES
C=CCCN1CCC(OC(=O)N(C)C2CCCCC2)N(c2nnc(OC)s2)C1=O- InChIKey
XGADQQFLVDSRIP-UHFFFAOYSA-N- Molecular formula
- C19H29N5O4S
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.1940256
Names & identifiers
- Preferred name
- tetrahydro-1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-but-3-enyl-6-(N-methyl-N-cyclohexylcarbamoyloxy)-2(1H)-pyrimidinone
- IUPAC
- [1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] N-cyclohexyl-N-methylcarbamate
Names & synonyms
SCHEMBL11720020XGADQQFLVDSRIP-UHFFFAOYSA-Ntetrahydro-1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-but-3-enyl-6-(N-methyl-N-cyclohexylcarbamoyloxy)-2(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 21404014
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
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Related reactions
2 records
Compound notes
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