5-{4-[1-(methanesulfonyl)-2,3-dihydro-1H-indole-5-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
Chemical Structure Depiction of
5-{4-[1-(methanesulfonyl)-2,3-dihydro-1H-indole-5-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
5-{4-[1-(methanesulfonyl)-2,3-dihydro-1H-indole-5-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
Compound characteristics
| Compound ID: | 8012-8692 |
| Compound Name: | 5-{4-[1-(methanesulfonyl)-2,3-dihydro-1H-indole-5-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline |
| Molecular Weight: | 585.7 |
| Molecular Formula: | C27 H31 N5 O6 S2 |
| Smiles: | CC(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc2c(CCN2S(C)(=O)=O)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8744 |
| logD: | 3.8744 |
| logSw: | -4.0471 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.273 |
| InChI Key: | HFUMZXNELBHTQD-FQEVSTJZSA-N |