6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V020-8983 |
| Compound Name: | 6-(3-{4-[(4-methoxyphenyl)methyl]piperazin-1-yl}-3-oxopropyl)-3-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C28 H33 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CCC2C(N=C(c3ccc(c(c3)OC)OCC=C)NN=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.139 |
| logD: | 2.139 |
| logSw: | -2.892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.92 |
| InChI Key: | UFSFDFADXWZCLB-UHFFFAOYSA-N |