N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzamide
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V027-9618 |
| Compound Name: | N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-methoxypropyl)-3-nitrobenzamide |
| Molecular Weight: | 599.53 |
| Molecular Formula: | C29 H35 Br N4 O5 |
| Salt: | not_available |
| Smiles: | CCCCN(Cc1cccn1Cc1ccc(cc1)[Br])C(CN(CCCOC)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1636 |
| logD: | 5.1636 |
| logSw: | -5.0294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.156 |
| InChI Key: | XEASGIVGUHOKMV-UHFFFAOYSA-N |