3,5,5-trimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Chemical Structure Depiction of
3,5,5-trimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
3,5,5-trimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 8010-2841 |
| Compound Name: | 3,5,5-trimethyl-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C15 H16 N2 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N(C)C(N2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8788 |
| logD: | 2.7772 |
| logSw: | -3.5414 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2127 |
| InChI Key: | QESSEGSTHNDARV-UHFFFAOYSA-N |