N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V028-3908 |
| Compound Name: | N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C29 H28 N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3947 |
| logD: | 4.3775 |
| logSw: | -4.2882 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.601 |
| InChI Key: | BYQLAWPFOIVZNN-UHFFFAOYSA-N |