N-cyclohexyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-cyclohexyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-4-nitrobenzene-1-sulfonamide
N-cyclohexyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V011-1624 |
| Compound Name: | N-cyclohexyl-N-[(1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}-1H-pyrrol-2-yl)methyl]-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 566.7 |
| Molecular Formula: | C28 H30 N4 O5 S2 |
| Smiles: | COc1ccc(cc1)c1nc(Cn2cccc2CN(C2CCCCC2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 6.5896 |
| logD: | 6.5896 |
| logSw: | -5.6938 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.85 |
| InChI Key: | VFTFNNKRTPBBIY-UHFFFAOYSA-N |