4-chloro-N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide
4-chloro-N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-1574 |
| Compound Name: | 4-chloro-N-[4-({1-(3-methoxypropyl)-2,5-dioxo-4-[4-(propan-2-yl)anilino]-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 600.16 |
| Molecular Formula: | C29 H30 Cl N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NS(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1868 |
| logD: | 6.0926 |
| logSw: | -6.3363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.845 |
| InChI Key: | KGBZMLRABYPDCL-UHFFFAOYSA-N |