N-(2-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB08-6128 |
| Compound Name: | N-(2-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 522.11 |
| Molecular Formula: | C29 H32 Cl N3 O2 S |
| Smiles: | CC(C)CN1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.39 |
| logD: | 6.39 |
| logSw: | -7.28 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.21 |
| InChI Key: | OWWWWGWJXXNQRG-UHFFFAOYSA-N |