N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(thiophen-2-yl)methyl]-beta-alaninamide
N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0155 |
| Compound Name: | N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-[(thiophen-2-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C19 H26 N4 O4 S2 |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(NCc1cccs1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4382 |
| logD: | 1.4374 |
| logSw: | -2.3436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.13 |
| InChI Key: | WHAFHRDCFGNZID-UHFFFAOYSA-N |