2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0606 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C25 H26 N2 O2 S |
| Smiles: | Cc1cccc(c1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCCO |
| Stereo: | ACHIRAL |
| logP: | 4.5634 |
| logD: | 4.4906 |
| logSw: | -4.4404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.231 |
| InChI Key: | MFINYXRSISFSCU-UHFFFAOYSA-N |