2-[(2-hydroxyethyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-[(2-hydroxyethyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-[(2-hydroxyethyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | D325-0605 |
| Compound Name: | 2-[(2-hydroxyethyl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C24 H24 N2 O2 S |
| Smiles: | C1CCC2(C1)Cc1ccccc1C1=C2C(N(C(=N1)SCCO)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9435 |
| logD: | 3.9267 |
| logSw: | -3.8966 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.231 |
| InChI Key: | FQWOTVFVBZMTIQ-UHFFFAOYSA-N |