5,5-dimethyl-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Chemical Structure Depiction of
5,5-dimethyl-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
5,5-dimethyl-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-1188 |
| Compound Name: | 5,5-dimethyl-2-(methylsulfanyl)-3-(prop-2-en-1-yl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one |
| Molecular Weight: | 312.43 |
| Molecular Formula: | C18 H20 N2 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N(CC=C)C(=N2)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1634 |
| logD: | 4.1633 |
| logSw: | -4.3411 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.15 |
| InChI Key: | SIDJSPOOOCKHMT-UHFFFAOYSA-N |