338966-45-3
Product Name:
ETHYL 2-((3-AMINO-3-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-CYANO-2-PROPENETHIOYL)AMINO)ACETATE
Formula:
C18H22ClN5O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 407.9 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 407.1182738 g/mol |
| Monoisotopic Mass | 407.1182738 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 625 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |