344268-12-8
Product Name:
3-(1-[(4-BROMOPHENYL)SULFONYL]-2-PYRROLIDINYL)-5-([4-(TERT-BUTYL)BENZYL]SULFANYL)-4-METHYL-4H-1,2,4-TRIAZOLE
Formula:
C24H29BrN4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 549.6 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 548.09153 g/mol |
| Monoisotopic Mass | 548.09153 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 741 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |