3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V027-1732 |
| Compound Name: | 3-{4-[(but-3-en-1-yl)oxy]-3-methoxyphenyl}-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Smiles: | CN1CCN(CC1)C(CCC1C(N=C(c2ccc(c(c2)OC)OCCC=C)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0451 |
| logD: | 1.0451 |
| logSw: | -2.0281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.312 |
| InChI Key: | MTIIXFBGQYZXGQ-UHFFFAOYSA-N |