2-{[(2-methylphenyl)methyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-{[(2-methylphenyl)methyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-{[(2-methylphenyl)methyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | IB03-3827 |
| Compound Name: | 2-{[(2-methylphenyl)methyl]sulfanyl}-3-propyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C27 H30 N2 O S |
| Smiles: | CCCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.85 |
| logD: | 6.85 |
| logSw: | -7.6 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 63.09 |
| InChI Key: | XVQVZRIOGTZJJH-UHFFFAOYSA-N |