900019-59-2
Product Name:
4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-N-PROPYL-1,4-DIAZEPANE-1-CARBOTHIOAMIDE
Formula:
C16H21F3N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 390.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 390.13373159 g/mol |
| Monoisotopic Mass | 390.13373159 g/mol |
| Topological Polar Surface Area | 96.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 501 |
| 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 |