N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]-3-methylbutanamide
N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D715-2086 |
| Compound Name: | N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]-3-methylbutanamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | CC(C)CC(Nc1c(c(C)c(C)n1CCCOC)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9148 |
| logD: | 3.9071 |
| logSw: | -3.8946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.85 |
| InChI Key: | LHDFPUJOMYLMHX-UHFFFAOYSA-N |