3-ethyl-5,5-dimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Chemical Structure Depiction of
3-ethyl-5,5-dimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
3-ethyl-5,5-dimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 4222-0168 |
| Compound Name: | 3-ethyl-5,5-dimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one |
| Molecular Weight: | 286.39 |
| Molecular Formula: | C16 H18 N2 O S |
| Smiles: | CCN1C(C2=C(c3ccccc3CC2(C)C)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4229 |
| logD: | 3.3838 |
| logSw: | -3.6476 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1717 |
| InChI Key: | HRNWUCRQFANYOL-UHFFFAOYSA-N |