2-{[4-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 7832-0052 |
| Compound Name: | 2-{[4-(5-chloro-2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 399.86 |
| Molecular Formula: | C18 H14 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1n1c(CN2C(c3ccccc3C=N2)=O)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6582 |
| logD: | 0.3989 |
| logSw: | -2.8378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.027 |
| InChI Key: | LNOWFVCLBSNYEQ-UHFFFAOYSA-N |