1-(methylsulfanyl)-3-(piperidin-1-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Chemical Structure Depiction of
1-(methylsulfanyl)-3-(piperidin-1-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
1-(methylsulfanyl)-3-(piperidin-1-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-4643 |
| Compound Name: | 1-(methylsulfanyl)-3-(piperidin-1-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C13 H19 N4 P S2 |
| Smiles: | CSP1(N=C(C(C#N)=C2CCCN12)N1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5822 |
| logD: | 2.5821 |
| logSw: | -2.6205 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.735 |
| InChI Key: | BOHXOKDDSZQENH-SFHVURJKSA-N |