182004-65-5
Product Name:
2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE
Formula:
C17H21N3O6S2
Synonyms:
2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea, methane sulfonate, NMDA Antagonist III;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester, methanesulfonate (1:1);Carbamimidothioic acid;KB-R7943 - CAS 182004-65-5 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 427.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 427.08717775 g/mol |
| Monoisotopic Mass | 427.08717775 g/mol |
| Topological Polar Surface Area | 193 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 479 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |