3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2963 |
| Compound Name: | 3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C22 H24 Cl N5 O2 |
| Smiles: | CC(C)[C@@H](C(N1CCN(CC1)c1cccc(c1)[Cl])=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.5557 |
| logD: | 4.5557 |
| logSw: | -4.5599 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.266 |
| InChI Key: | RBMYETIOIJHULE-FQEVSTJZSA-N |