N-(4-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V027-0335 |
| Compound Name: | N-(4-{[1-(3-methoxypropyl)-4-(4-methylanilino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 546.6 |
| Molecular Formula: | C28 H26 N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6578 |
| logD: | 4.6564 |
| logSw: | -4.2719 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.668 |
| InChI Key: | VXKAVOPPOQOTKQ-UHFFFAOYSA-N |