8,8,9a-trimethyl-6-sulfanylidenehexahydro-2H-pyrimido[6,1-c][1,2,4]triazin-3(4H)-one
Chemical Structure Depiction of
8,8,9a-trimethyl-6-sulfanylidenehexahydro-2H-pyrimido[6,1-c][1,2,4]triazin-3(4H)-one
8,8,9a-trimethyl-6-sulfanylidenehexahydro-2H-pyrimido[6,1-c][1,2,4]triazin-3(4H)-one
Compound characteristics
| Compound ID: | 8018-1086 |
| Compound Name: | 8,8,9a-trimethyl-6-sulfanylidenehexahydro-2H-pyrimido[6,1-c][1,2,4]triazin-3(4H)-one |
| Molecular Weight: | 228.31 |
| Molecular Formula: | C9 H16 N4 O S |
| Smiles: | CC1(C)CC2(C)NNC(CN2C(N1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2973 |
| logD: | 0.2867 |
| logSw: | -1.7992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.372 |
| InChI Key: | LMFNGKNBVRKSAM-VIFPVBQESA-N |