477869-40-2
Product Name:
2-(4-(4-[(4-CHLOROPHENYL)SULFANYL]-3-NITROBENZYL)PIPERAZINO)PYRIMIDINE
Formula:
C21H20ClN5O2S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 441.9 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 441.1026238 g/mol |
| Monoisotopic Mass | 441.1026238 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 546 |
| 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 |