2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
Chemical Structure Depiction of
2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
Compound characteristics
| Compound ID: | D325-0524 |
| Compound Name: | 2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C29 H31 N3 O2 S |
| Smiles: | CC(C(Nc1ccccc1)=O)SC1=NC2=C(C(N1CC=C)=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.882 |
| logD: | 5.882 |
| logSw: | -5.2992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.162 |
| InChI Key: | WATKWQKKNJBVOB-FQEVSTJZSA-N |