1-(benzylsulfanyl)-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-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
1-(benzylsulfanyl)-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: | 8018-2834 |
| Compound Name: | 1-(benzylsulfanyl)-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: | 404.49 |
| Molecular Formula: | C18 H21 N4 O P S2 |
| Smiles: | C1CC2=C(C#N)C(=NP(N2C1)(=S)SCc1ccccc1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1135 |
| logD: | 3.1134 |
| logSw: | -3.1282 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.372 |
| InChI Key: | DYLGKTMSSIVRSV-DEOSSOPVSA-N |