N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | D715-2116 |
| Compound Name: | N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CCCCn1c(C)c(C)c(c1NC(c1ccco1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4401 |
| logD: | 4.4052 |
| logSw: | -3.9299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.028 |
| InChI Key: | ZTCGHYAVFYQTIA-UHFFFAOYSA-N |