N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-N-methyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-N-methyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-N-methyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0301 |
| Compound Name: | N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-N-methyl-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 609.64 |
| Molecular Formula: | C21 H29 N5 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CN(CC(NCCOC)=O)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1387 |
| logD: | 0.1387 |
| logSw: | -2.5179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.398 |
| InChI Key: | YHNHHCANILNXHQ-UHFFFAOYSA-N |