| CAS Number | 1831135-56-8 |
| Catalog Number | AG01EPN4(AGN-PC-3H470N) |
| Chemical Name | 4-(4-methoxyphenyl)-1-piperazinecarboxylicacid,hexahydro-1,3-dioxo-7-[(4-phenoxyphenyl)methyl]imidazo[1,5-a]pyrazin-2-ylester |
| IUPAC Name | [1,3-dioxo-7-[(4-phenoxyphenyl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C31H33N5O6/c1-40-25-13-9-24(10-14-25)33-16-18-34(19-17-33)31(39)42-36-29(37)28-22-32(15-20-35(28)30(36)38)21-23-7-11-27(12-8-23)41-26-5-3-2-4-6-26/h2-14,28H,15-22H2,1H3 |
| InChI Key | JJXNIRULKJQOCI-UHFFFAOYSA-N |
| MDL Number | MFCD06659606 |
| Molecular Formula | C31H33N5O6 |
| Molecular Weight | 571.6236 |
| SMILES | COC1=CC=C(C=C1)N1CCN(CC1)C(=O)ON1C(N2C(CN(CC2)CC2=CC=C(C=C2)OC2=CC=CC=C2)C1=O)=O |
| Synonyms | 1831135-56-8,
ABC34,
SCHEMBL17275317,
1,3-dioxo-7-(4-phenoxybenzyl)hexahydroimidazo[1,5-a]pyrazin-2(3H)-yl 4-(4-methoxyphenyl)piperazine-1-carboxylate,
4-(4-methoxyphenyl)-1-piperazinecarboxylicacid,hexahydro-1,3-dioxo-7-[(4-phenoxyphenyl)methyl]imidazo[1,5-a]pyrazin-2-ylester,
JJXNIRULKJQOCI-UHFFFAOYSA-N,
|
| Complexity | 938 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 571.243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 571.634g/mol |
| Monoisotopic Mass | 571.243g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number