methyl 2-{[(3-{[4-(2-methoxy-5-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(3-{[4-(2-methoxy-5-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(3-{[4-(2-methoxy-5-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V031-2523 |
| Compound Name: | methyl 2-{[(3-{[4-(2-methoxy-5-methylanilino)-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate |
| Molecular Weight: | 643.74 |
| Molecular Formula: | C33 H29 N3 O7 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(C1=O)c1ccccc1)=O)Sc1cccc(c1)NS(Cc1ccccc1C(=O)OC)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2226 |
| logD: | 5.1931 |
| logSw: | -5.0381 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.374 |
| InChI Key: | HJFFCRUCJCMKOV-UHFFFAOYSA-N |