3-(4-butoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-(4-butoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
3-(4-butoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V021-7800 |
| Compound Name: | 3-(4-butoxyphenyl)-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CCCCOc1ccc(cc1)C1NN=C(CCC(N2CCN(C)CC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7599 |
| logD: | 0.8186 |
| logSw: | -2.2364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.595 |
| InChI Key: | CRDLWQUHUDCGPK-UHFFFAOYSA-N |