| CAS Number | 1202969-68-3 |
| Catalog Number | AG01E85V |
| Chemical Name | 3-cyclohexyl-1-[4-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]urea |
| IUPAC Name | 1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea |
| InChI | InChI=1S/C16H23N3O3S/c20-16(17-13-5-2-1-3-6-13)18-14-7-9-15(10-8-14)19-11-4-12-23(19,21)22/h7-10,13H,1-6,11-12H2,(H2,17,18,20) |
| InChI Key | FXHZVNBLSGTFMB-UHFFFAOYSA-N |
| MDL Number | MFCD14865730 |
| Molecular Formula | C16H23N3O3S |
| Molecular Weight | 337.4371 |
| SMILES | O=C(NC1=CC=C(N2S(=O)(=O)CCC2)C=C1)NC1CCCCC1 |
| Synonyms | 1202969-68-3,
ZINC22505644,
AKOS008129424,
MCULE-4498190652,
VU0646805-1,
SR-01000923151,
SR-01000923151-1,
F5536-0012,
1-cyclohexyl-3-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)urea,
|
| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.438g/mol |
| Monoisotopic Mass | 337.146g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number