2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D325-0557 |
| Compound Name: | 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 478.63 |
| Molecular Formula: | C25 H26 N4 O2 S2 |
| Smiles: | CC(=C)CN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9118 |
| logD: | 4.9115 |
| logSw: | -4.4675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.814 |
| InChI Key: | BYSHEXWDSDAERF-UHFFFAOYSA-N |