86911-03-7
Product Name:
Benzenecarbothioic acid, 2-(acetyloxy)-, S-[5-[[[(4-bromophenyl)amino]thioxomethyl]amino]-1,3,4-thiadiazol-2-yl] ester
Formula:
C18H13BrN4O3S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 509.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 507.93332 g/mol |
| Monoisotopic Mass | 507.93332 g/mol |
| Topological Polar Surface Area | 179 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 607 |
| 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 |