N-[3-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[3-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
N-[3-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | V029-5946 |
| Compound Name: | N-[3-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]-4-methylbenzamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(CCCOC)C1=O)=O)Sc1cccc(c1)NC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9611 |
| logD: | 5.9598 |
| logSw: | -5.3608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | BUAJTNIGAMLATD-UHFFFAOYSA-N |