708991-69-9
Product Name:
(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(3-chlorophenyl)-1-methylpyrrol-2-yl]prop-2-enenitrile
Formula:
C21H14ClN3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 375.9 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 375.0596963 g/mol |
| Monoisotopic Mass | 375.0596963 g/mol |
| Topological Polar Surface Area | 69.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 585 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |