methyl 4-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 4-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E746-1819 |
| Compound Name: | methyl 4-{3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 381.42 |
| Molecular Formula: | C17 H20 F N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCCN(Cc2ccc(cc2)F)C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1293 |
| logD: | 2.1269 |
| logSw: | -2.8958 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.559 |
| InChI Key: | PKCXABUGTLPSCR-UHFFFAOYSA-N |