2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0595 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Smiles: | COc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 4.6676 |
| logD: | 4.6377 |
| logSw: | -4.4477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.409 |
| InChI Key: | ZNLLWNFBDVVOTO-UHFFFAOYSA-N |