3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-8729 |
| Compound Name: | 3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C21 H23 N5 O3 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CCN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2018 |
| logD: | 2.2015 |
| logSw: | -2.5792 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.893 |
| InChI Key: | KRMBUNUWPAPMMM-UHFFFAOYSA-N |