N-tert-butyl-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Chemical Structure Depiction of
N-tert-butyl-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
N-tert-butyl-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Compound characteristics
| Compound ID: | 8004-9283 |
| Compound Name: | N-tert-butyl-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CC(C)(C)NC(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)Sc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4309 |
| logD: | 5.4309 |
| logSw: | -5.4579 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.498 |
| InChI Key: | NYBJZIXXNDAZIP-UHFFFAOYSA-N |