N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Chemical Structure Depiction of
N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | V029-8311 |
| Compound Name: | N-(3-{[4-anilino-1-(2-methylpropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2-chlorobenzamide |
| Molecular Weight: | 506.02 |
| Molecular Formula: | C27 H24 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(C(=C(C1=O)Sc1cccc(c1)NC(c1ccccc1[Cl])=O)Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 5.509 |
| logSw: | -5.7604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.965 |
| InChI Key: | RELDCIWJULLSLY-UHFFFAOYSA-N |