2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5140-0217 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.217 |
| logD: | 4.1981 |
| logSw: | -4.5124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.141 |
| InChI Key: | SXQCNOCRCSHCDO-UHFFFAOYSA-N |