N-[2-(dimethylamino)ethyl]-N-ethyl-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-N-ethyl-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N-[2-(dimethylamino)ethyl]-N-ethyl-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0361 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-N-ethyl-4-(piperazin-1-yl)-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 615.72 |
| Molecular Formula: | C26 H39 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)C(c1ccc(c(c1)NS(c1ccc(cc1)C(C)C)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1081 |
| logD: | 3.1081 |
| logSw: | -3.5942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.354 |
| InChI Key: | KACKXFNTYNIQAD-UHFFFAOYSA-N |