7-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
7-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
7-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F458-0435 |
| Compound Name: | 7-chloro-1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-{3-[(propan-2-yl)oxy]propyl}[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | CC(C)OCCCN1C(c2cc(ccc2n2c1nnc2SCc1ccc(C=C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7877 |
| logD: | 4.7877 |
| logSw: | -4.8663 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | MXOASQKAEBYMJJ-UHFFFAOYSA-N |