7,7-dimethyl-4-phenyl-2-sulfanylidene-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
Chemical Structure Depiction of
7,7-dimethyl-4-phenyl-2-sulfanylidene-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
7,7-dimethyl-4-phenyl-2-sulfanylidene-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one
Compound characteristics
| Compound ID: | 8009-5192 |
| Compound Name: | 7,7-dimethyl-4-phenyl-2-sulfanylidene-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one |
| Molecular Weight: | 286.39 |
| Molecular Formula: | C16 H18 N2 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)NC(N2)=S)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6421 |
| logD: | 2.6191 |
| logSw: | -3.0694 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.241 |
| InChI Key: | LQOWAPAUEFCXJS-CQSZACIVSA-N |