| CAS Number | 2301866-59-9 |
| Catalog Number | AG01FS3T(AGN-PC-3H5PP1) |
| Chemical Name | DO-264 |
| IUPAC Name | 1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea |
| InChI | InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36) |
| InChI Key | PIEQDBPBBQPLPL-UHFFFAOYSA-N |
| MDL Number | MFCD31558383 |
| Molecular Formula | C23H20Cl2F3N5O2S |
| Molecular Weight | 558.4034 |
| SMILES | S=C(NC1=CC=CN=C1)NC2CCN(C3=NC=CC(OC4=CC=C(OC(F)(F)F)C=C4Cl)=C3Cl)CC2 |
| Synonyms | DO-264,
compound 46,
GTPL10250,
DO-26,
DO264,
DO 264,
HY-114157,
CS-0077182,
1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea,
2301866-59-9,
N/A,
|
| Complexity | 720 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 557.066686g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 558.4g/mol |
| Monoisotopic Mass | 557.066686g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number