methyl 4-{[5-({(4-chlorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)furan-2-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[5-({(4-chlorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)furan-2-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[5-({(4-chlorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)furan-2-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4983-0207 |
| Compound Name: | methyl 4-{[5-({(4-chlorobenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)furan-2-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C27 H25 Cl N2 O6 S |
| Smiles: | CC1=C(/C(=C\c2ccc(CN(Cc3ccc(C)cc3)S(c3ccc(cc3)[Cl])(=O)=O)o2)C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1344 |
| logD: | 4.9025 |
| logSw: | -5.547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.151 |
| InChI Key: | DMEOCRWSVRSBBJ-UHFFFAOYSA-N |