methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V028-2319 |
| Compound Name: | methyl 4-[N-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C21 H23 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(CC=C)C(c2ccc(cc2)[Cl])=O)=O)c(C)n(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9356 |
| logD: | 2.9356 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.657 |
| InChI Key: | RUPWWOGXNKBIBP-UHFFFAOYSA-N |