methyl 2-{[(3-{[4-anilino-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(3-{[4-anilino-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
methyl 2-{[(3-{[4-anilino-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)sulfamoyl]methyl}benzoate
Compound characteristics
| Compound ID: | V031-2535 |
| Compound Name: | methyl 2-{[(3-{[4-anilino-1-(2-methoxy-5-methylphenyl)-2,5-dioxo-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)N1C(C(=C(C1=O)Sc1cccc(c1)NS(Cc1ccccc1C(=O)OC)(=O)=O)Nc1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.3801 |
| logD: | 5.3506 |
| logSw: | -5.4614 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.771 |
| InChI Key: | OSFBPSDPYZQSDZ-UHFFFAOYSA-N |