4-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-7-methyl-2H-1,4-benzoxazin-3(4H)-one
4-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-7-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V031-3128 |
| Compound Name: | 4-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-7-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C27 H26 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)OCC(N2Cc1ccc(cc1)C(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4028 |
| logD: | 4.4028 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.977 |
| InChI Key: | MUUKPHJTONGIKM-UHFFFAOYSA-N |