| CAS Number | 877963-94-5 |
| Catalog Number | AG01BCFP(AGN-PC-0WOJSG) |
| Chemical Name | 2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one |
| IUPAC Name | 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one |
| InChI | InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2 |
| InChI Key | YVBSNHLFRIVWFQ-UHFFFAOYSA-N |
| MDL Number | MFCD07849042 |
| Molecular Formula | C16H19N3O2S |
| Molecular Weight | 317.4060 |
| SMILES | O=C1N(CN2CCN(C(C3CC3)=O)CC2)SC4=C1C=CC=C4 |
| Synonyms | LOC14,
877963-94-5,
2-[(4-cyclopropanecarbonylpiperazin-1-yl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one,
AC1PKXX8,
SCHEMBL17948274,
ZINC23640382,
AKOS027470224,
Z44295069,
2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one,
2-[[4-(Cyclopropylcarbonyl)-1-piperazinyl]methyl]-1,2-benzisothiazol-3(2H)-one,
YVBSNHLFRIVWFQ-UHFFFAOYSA-N,
CID9117962,
CID 9117962,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.407g/mol |
| Monoisotopic Mass | 317.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number