2-(benzylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
2-(benzylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Compound characteristics
| Compound ID: | 2752-0207 |
| Compound Name: | 2-(benzylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C30 H28 N2 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0824 |
| logD: | 6.0568 |
| logSw: | -5.4947 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.847 |
| InChI Key: | VOUPBGLNWSBOJF-UHFFFAOYSA-N |