2-(benzylsulfanyl)-3-(3-bromophenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-3-(3-bromophenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
2-(benzylsulfanyl)-3-(3-bromophenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 4159-0062 |
| Compound Name: | 2-(benzylsulfanyl)-3-(3-bromophenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 543.53 |
| Molecular Formula: | C30 H27 Br N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(C(=N1)SCc1ccccc1)c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.3323 |
| logD: | 7.3042 |
| logSw: | -6.093 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.9376 |
| InChI Key: | SKFCMHRDUSBYOX-UHFFFAOYSA-N |