3-(3-bromophenyl)-2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-bromophenyl)-2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-bromophenyl)-2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4159-0053 |
| Compound Name: | 3-(3-bromophenyl)-2-(butylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 509.51 |
| Molecular Formula: | C27 H29 Br N2 O S |
| Smiles: | CCCCSC1=NC2=C(C(N1c1cccc(c1)[Br])=O)C1(CCCCC1)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 7.6505 |
| logD: | 7.6453 |
| logSw: | -5.7092 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.2092 |
| InChI Key: | JYIMSNCTVOKAAE-UHFFFAOYSA-N |