N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | V027-9666 |
| Compound Name: | N-(3-{[4-(3,4-dimethylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-methoxybenzamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1C)NC1=C(C(N(CCCOC)C1=O)=O)Sc1cccc(c1)NC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1693 |
| logD: | 5.1684 |
| logSw: | -4.8856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.83 |
| InChI Key: | QDMMFVZEOKGDNF-UHFFFAOYSA-N |