4-[(4-methoxyphenyl)methyl]-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-[(4-methoxyphenyl)methyl]-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-[(4-methoxyphenyl)methyl]-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 4222-0280 |
| Compound Name: | 4-[(4-methoxyphenyl)methyl]-1-[(propan-2-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 500.66 |
| Molecular Formula: | C29 H32 N4 O2 S |
| Smiles: | CC(C)Sc1nnc2N(Cc3ccc(cc3)OC)C(C3=C(c4ccccc4CC34CCCCC4)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3567 |
| logD: | 6.3567 |
| logSw: | -5.3908 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.202 |
| InChI Key: | QEINSXWZWOXCGF-UHFFFAOYSA-N |