2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4209-0018 |
| Compound Name: | 2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C25 H26 N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(NC(=N1)SCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7748 |
| logD: | 5.6275 |
| logSw: | -5.7545 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.279 |
| InChI Key: | BBDXVVJZXCBUFE-UHFFFAOYSA-N |