methyl 2-({[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
methyl 2-({[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
Compound characteristics
| Compound ID: | V031-2736 |
| Compound Name: | methyl 2-({[3-({1-(4-methoxyphenyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate |
| Molecular Weight: | 671.79 |
| Molecular Formula: | C35 H33 N3 O7 S2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(C1=O)c1ccc(cc1)OC)=O)Sc1cccc(c1)NS(Cc1ccccc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5044 |
| logD: | 6.4749 |
| logSw: | -5.7373 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.986 |
| InChI Key: | OOHQZDBKJDHSAX-UHFFFAOYSA-N |