343374-95-8
Product Name:
METHYL 2-[3-(2-CHLOROBENZYL)-5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-3-THIOPHENECARBOXYLATE
Formula:
C18H12ClN3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.8 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.0237047 g/mol |
| Monoisotopic Mass | 401.0237047 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 719 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |