1-(methylsulfanyl)-3-(morpholin-4-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-(morpholin-4-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
1-(methylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-4212 |
| Compound Name: | 1-(methylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C12 H17 N4 O P S2 |
| Smiles: | CSP1(N=C(C(C#N)=C2CCCN12)N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.4235 |
| logD: | 1.4235 |
| logSw: | -1.551 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.644 |
| InChI Key: | SMEWDPFYGZVKGE-SFHVURJKSA-N |