3-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Chemical Structure Depiction of
3-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
3-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Compound characteristics
| Compound ID: | 3379-1460 |
| Compound Name: | 3-(3-bromophenyl)-2-sulfanylidene-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one |
| Molecular Weight: | 453.4 |
| Molecular Formula: | C23 H21 Br N2 O S |
| Smiles: | C1CCC2(CC1)Cc1ccccc1C1=C2C(N(C(N1)=S)c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5276 |
| logD: | 4.8042 |
| logSw: | -5.7121 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.4845 |
| InChI Key: | FQSHWPJALLZMIJ-UHFFFAOYSA-N |