methyl 3,5-dimethyl-4-{N-[(oxolan-2-yl)methyl]-N-(thiophene-2-carbonyl)alanyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-{N-[(oxolan-2-yl)methyl]-N-(thiophene-2-carbonyl)alanyl}-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-{N-[(oxolan-2-yl)methyl]-N-(thiophene-2-carbonyl)alanyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2485 |
| Compound Name: | methyl 3,5-dimethyl-4-{N-[(oxolan-2-yl)methyl]-N-(thiophene-2-carbonyl)alanyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC1CCCO1)C(c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6503 |
| logD: | 2.6503 |
| logSw: | -2.8379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.108 |
| InChI Key: | FBDHCIKPQUQRCU-UHFFFAOYSA-N |