N-(4-{[4-anilino-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-butoxybenzamide
Chemical Structure Depiction of
N-(4-{[4-anilino-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-butoxybenzamide
N-(4-{[4-anilino-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-butoxybenzamide
Compound characteristics
| Compound ID: | V026-5476 |
| Compound Name: | N-(4-{[4-anilino-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-butoxybenzamide |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C31 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1ccc(cc1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5493 |
| logD: | 5.5483 |
| logSw: | -5.3369 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.704 |
| InChI Key: | LNSCIRGKGZYDNN-UHFFFAOYSA-N |