2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4222-0228 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 557.55 |
| Molecular Formula: | C31 H29 Br N2 O S |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)C1(CCCCC1)Cc1ccccc12)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.8007 |
| logD: | 7.7317 |
| logSw: | -5.6123 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.6367 |
| InChI Key: | XAKLPBVYEBSLME-UHFFFAOYSA-N |