1-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-5,6,7,8-tetrahydro-1H-1lambda~5~-pyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Chemical Structure Depiction of
1-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-5,6,7,8-tetrahydro-1H-1lambda~5~-pyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
1-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-5,6,7,8-tetrahydro-1H-1lambda~5~-pyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-4002 |
| Compound Name: | 1-(benzylsulfanyl)-3-(morpholin-4-yl)-1-sulfanylidene-5,6,7,8-tetrahydro-1H-1lambda~5~-pyrido[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C19 H23 N4 O P S2 |
| Smiles: | C1CCN2C(C1)=C(C#N)C(=NP2(=S)SCc1ccccc1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4571 |
| logD: | 3.457 |
| logSw: | -3.6111 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.006 |
| InChI Key: | HJOOPMQGQMYNAD-VWLOTQADSA-N |