N-(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
N-(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V031-0153 |
| Compound Name: | N-(2-{butyl[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C24 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | CCCCN(Cc1cccn1C)C(CN(CCCOC)C(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4155 |
| logD: | 3.4155 |
| logSw: | -3.7153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.682 |
| InChI Key: | CLDZARJTKDALRX-UHFFFAOYSA-N |