| CAS Number | 1989672-33-4 |
| Catalog Number | AG01B5AE |
| Chemical Name | tert-butyl N-{1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl}carbamate |
| IUPAC Name | tert-butyl N-[1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl]carbamate |
| InChI | InChI=1S/C19H26ClN3O3/c1-18(2,3)26-17(25)21-19(8-9-19)16(24)23-12-10-22(11-13-23)15-6-4-14(20)5-7-15/h4-7H,8-13H2,1-3H3,(H,21,25) |
| InChI Key | SVMYGYMTPNBKCF-UHFFFAOYSA-N |
| MDL Number | MFCD30342764 |
| Molecular Formula | C19H26ClN3O3 |
| Molecular Weight | 379.881 |
| SMILES | CC(OC(NC1(C(N2CCN(C3=CC=C(Cl)C=C3)CC2)=O)CC1)=O)(C)C |
| Synonyms | tert-butyl N-{1-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclopropyl}carbamate,
1989672-33-4,
ZINC122652737,
|
| Complexity | 529 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.885g/mol |
| Monoisotopic Mass | 379.166g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number