N-(3-methylbutyl)-2-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carboxamide
N-(3-methylbutyl)-2-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V023-4522 |
| Compound Name: | N-(3-methylbutyl)-2-({4-[(4-nitrophenyl)methyl]piperazin-1-yl}methyl)-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCNC(c1coc(CN2CCN(CC2)Cc2ccc(cc2)[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3705 |
| logD: | 2.1379 |
| logSw: | -2.8791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.825 |
| InChI Key: | CQUUWCKMBKZZTO-UHFFFAOYSA-N |