dimethyl 2,2'-[(5-methyl-2-sulfanylidene-2,7-dihydro-1H-2lambda~5~-pyrazolo[3,4-d][1,3,2]diazaphosphinine-2,4-diyl)bis(sulfanediyl)]diacetate
Chemical Structure Depiction of
dimethyl 2,2'-[(5-methyl-2-sulfanylidene-2,7-dihydro-1H-2lambda~5~-pyrazolo[3,4-d][1,3,2]diazaphosphinine-2,4-diyl)bis(sulfanediyl)]diacetate
dimethyl 2,2'-[(5-methyl-2-sulfanylidene-2,7-dihydro-1H-2lambda~5~-pyrazolo[3,4-d][1,3,2]diazaphosphinine-2,4-diyl)bis(sulfanediyl)]diacetate
Compound characteristics
| Compound ID: | 8017-9555 |
| Compound Name: | dimethyl 2,2'-[(5-methyl-2-sulfanylidene-2,7-dihydro-1H-2lambda~5~-pyrazolo[3,4-d][1,3,2]diazaphosphinine-2,4-diyl)bis(sulfanediyl)]diacetate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C11 H15 N4 O4 P S3 |
| Smiles: | Cc1c2C(=NP(Nc2[nH]n1)(=S)SCC(=O)OC)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.1944 |
| logD: | 1.1932 |
| logSw: | -1.5607 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.35 |
| InChI Key: | MXSQWYLGNYYYLR-HXUWFJFHSA-N |