3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
Chemical Structure Depiction of
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
Compound characteristics
| Compound ID: | C137-0211 |
| Compound Name: | 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide |
| Molecular Weight: | 561.45 |
| Molecular Formula: | C24 H25 Br N4 O5 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CCS(c1cc2c(CCN2C(C)=O)cc1[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1444 |
| logD: | 0.863 |
| logSw: | -2.2362 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.952 |
| InChI Key: | JHHLOLURZFUPPA-UHFFFAOYSA-N |