5,5-dimethyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Chemical Structure Depiction of
5,5-dimethyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
5,5-dimethyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | 4222-0082 |
| Compound Name: | 5,5-dimethyl-3-(2-methylprop-2-en-1-yl)-2-sulfanylidene-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1H)-one |
| Molecular Weight: | 312.43 |
| Molecular Formula: | C18 H20 N2 O S |
| Smiles: | CC(=C)CN1C(C2=C(c3ccccc3CC2(C)C)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2135 |
| logD: | 4.187 |
| logSw: | -4.3366 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.447 |
| InChI Key: | UPSQVWNFHDQXQQ-UHFFFAOYSA-N |