ethyl N-methyl-N-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}glycinate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl N-methyl-N-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}glycinate--trifluoroacetic acid (1/1)
ethyl N-methyl-N-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}glycinate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0486 |
| Compound Name: | ethyl N-methyl-N-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}glycinate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(CN(C)C(c1ccc(c(c1)NS(c1ccccc1C)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7092 |
| logD: | 1.7092 |
| logSw: | -2.7553 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.883 |
| InChI Key: | UVCPTMLGRRLETM-UHFFFAOYSA-N |