3-(benzylamino)-1-(benzylsulfanyl)-1-sulfanylidene-1,5,6,7,8,9-hexahydro-1lambda~5~-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile
Chemical Structure Depiction of
3-(benzylamino)-1-(benzylsulfanyl)-1-sulfanylidene-1,5,6,7,8,9-hexahydro-1lambda~5~-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile
3-(benzylamino)-1-(benzylsulfanyl)-1-sulfanylidene-1,5,6,7,8,9-hexahydro-1lambda~5~-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-4253 |
| Compound Name: | 3-(benzylamino)-1-(benzylsulfanyl)-1-sulfanylidene-1,5,6,7,8,9-hexahydro-1lambda~5~-[1,3,2]diazaphosphinino[1,6-a]azepine-4-carbonitrile |
| Molecular Weight: | 452.58 |
| Molecular Formula: | C23 H25 N4 P S2 |
| Smiles: | C1CCC2=C(C#N)C(NCc3ccccc3)=NP(N2CC1)(=S)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0706 |
| logD: | 5.0615 |
| logSw: | -4.8164 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.465 |
| InChI Key: | NMEILVMVESFIEJ-NDEPHWFRSA-N |