methyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
Chemical Structure Depiction of
methyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
methyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate
Compound characteristics
| Compound ID: | G331-0628 |
| Compound Name: | methyl N-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamoyl]alaninate |
| Molecular Weight: | 349.82 |
| Molecular Formula: | C17 H20 Cl N3 O3 |
| Smiles: | CC(C(=O)OC)NC(NCc1cccn1Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5582 |
| logD: | 2.5582 |
| logSw: | -3.2848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.865 |
| InChI Key: | YLFOIYUQAFKJTD-LBPRGKRZSA-N |