N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide
Compound characteristics
Compound ID: | D715-2084 |
Compound Name: | N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]furan-2-carboxamide |
Molecular Weight: | 430.52 |
Molecular Formula: | C22 H26 N2 O5 S |
Smiles: | Cc1ccc(cc1)S(c1c(C)c(C)n(CCCOC)c1NC(c1ccco1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3708 |
logD: | 3.3358 |
logSw: | -3.6832 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.371 |
InChI Key: | PMCHTTDCZMZBSM-UHFFFAOYSA-N |