N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0299 |
| Compound Name: | N-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 621.65 |
| Molecular Formula: | C22 H29 N5 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CN(CC(N1CCOCC1)=O)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0179 |
| logD: | 0.0179 |
| logSw: | -2.5214 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.772 |
| InChI Key: | BJIXSHUFTQHONN-UHFFFAOYSA-N |