3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-8727 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C20 H20 Cl N5 O2 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7847 |
| logD: | 2.7847 |
| logSw: | -3.7118 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.564 |
| InChI Key: | GTXDPNMOPAFUKM-UHFFFAOYSA-N |