3-cyclohexyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-cyclohexyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-cyclohexyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0591 |
| Compound Name: | 3-cyclohexyl-2-[(2-hydroxyethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 424.6 |
| Molecular Formula: | C25 H32 N2 O2 S |
| Smiles: | C1CCC(CC1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 5.0114 |
| logD: | 5.0114 |
| logSw: | -4.5911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.698 |
| InChI Key: | VBXCRHPXBVMEFC-UHFFFAOYSA-N |