N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0603 |
| Compound Name: | N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-[(4-propylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 629.7 |
| Molecular Formula: | C26 H37 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N(C)CC(NCCC)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5139 |
| logD: | 2.5139 |
| logSw: | -3.0298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.037 |
| InChI Key: | HYDGSEKJJBQAEQ-UHFFFAOYSA-N |