N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-ethoxypropyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-ethoxypropyl)-2-fluorobenzamide
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-ethoxypropyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | V018-0988 |
| Compound Name: | N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-N-(3-ethoxypropyl)-2-fluorobenzamide |
| Molecular Weight: | 586.55 |
| Molecular Formula: | C30 H37 Br F N3 O3 |
| Smiles: | CCCCN(Cc1cccn1Cc1ccc(cc1)[Br])C(CN(CCCOCC)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.741 |
| logD: | 5.741 |
| logSw: | -5.4094 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.409 |
| InChI Key: | CATPJLPDZZAWIO-UHFFFAOYSA-N |