N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-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-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0371 |
| Compound Name: | N-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 629.7 |
| Molecular Formula: | C26 H37 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN(C)C(c1ccc(c(c1)NS(c1ccc(cc1)C(C)C)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4469 |
| logD: | 2.4469 |
| logSw: | -3.0967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.037 |
| InChI Key: | WHRINEZLBFZIFU-UHFFFAOYSA-N |