3,3,4a-trimethyl-1-sulfanylidene-2,3,4,4a-tetrahydro-1H-pyrimido[6,1-b][1,3]benzoxazole-7,8-dicarbonitrile
Chemical Structure Depiction of
3,3,4a-trimethyl-1-sulfanylidene-2,3,4,4a-tetrahydro-1H-pyrimido[6,1-b][1,3]benzoxazole-7,8-dicarbonitrile
3,3,4a-trimethyl-1-sulfanylidene-2,3,4,4a-tetrahydro-1H-pyrimido[6,1-b][1,3]benzoxazole-7,8-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-2897 |
| Compound Name: | 3,3,4a-trimethyl-1-sulfanylidene-2,3,4,4a-tetrahydro-1H-pyrimido[6,1-b][1,3]benzoxazole-7,8-dicarbonitrile |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | CC1(C)CC2(C)N(C(N1)=S)c1cc(C#N)c(C#N)cc1O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6379 |
| logD: | 2.6379 |
| logSw: | -3.2253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.963 |
| InChI Key: | BGMXJVZJTQUUDP-HNNXBMFYSA-N |