N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0247 |
| Compound Name: | N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1)NC(C1=C(c2ccccc2S1(=O)=O)N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5983 |
| logD: | 2.5549 |
| logSw: | -3.4228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.444 |
| InChI Key: | XYCJNMPZKDTZKM-UHFFFAOYSA-N |