2-[(3-methylbutyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-[(3-methylbutyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-[(3-methylbutyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 4232-0059 |
| Compound Name: | 2-[(3-methylbutyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 444.64 |
| Molecular Formula: | C28 H32 N2 O S |
| Smiles: | CC(C)CCSC1=NC2=C(C(N1c1ccccc1C)=O)C1(CCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.9014 |
| logD: | 6.899 |
| logSw: | -5.7273 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2742 |
| InChI Key: | NBDJCMSPPMZPRT-UHFFFAOYSA-N |