N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0730 |
| Compound Name: | N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 605.65 |
| Molecular Formula: | C22 H29 N5 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5085 |
| logD: | 0.5085 |
| logSw: | -2.3641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.088 |
| InChI Key: | UNXOMZYEAWORNW-UHFFFAOYSA-N |