N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V028-4823 |
| Compound Name: | N-(3-{[4-(4-methoxyanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1cccc(c1)SC1=C(C(N(CCCOC)C1=O)=O)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9801 |
| logD: | 3.978 |
| logSw: | -4.0599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.888 |
| InChI Key: | TWPGWGNOOUZLSD-UHFFFAOYSA-N |