N-{2-[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-3,3-dimethyl-N-(propan-2-yl)butanamide
Chemical Structure Depiction of
N-{2-[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-3,3-dimethyl-N-(propan-2-yl)butanamide
N-{2-[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-3,3-dimethyl-N-(propan-2-yl)butanamide
Compound characteristics
| Compound ID: | V017-1537 |
| Compound Name: | N-{2-[benzyl({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-3,3-dimethyl-N-(propan-2-yl)butanamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C30 H38 F N3 O2 |
| Smiles: | CC(C)N(CC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1)F)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5334 |
| logD: | 5.5334 |
| logSw: | -5.3431 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.691 |
| InChI Key: | NWVNLBWJOSBPDK-UHFFFAOYSA-N |