6-tert-butyl-4-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-tert-butyl-4-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V006-6047 |
| Compound Name: | 6-tert-butyl-4-({3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C30 H32 N4 O5 |
| Smiles: | CC(C)(C)c1ccc2c(c1)N(Cc1cccc(c1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8814 |
| logD: | 4.8814 |
| logSw: | -4.7895 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.358 |
| InChI Key: | LPEQZQHVTIGPOG-UHFFFAOYSA-N |