N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(thiophene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(thiophene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(thiophene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0079 |
| Compound Name: | N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(thiophene-2-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.6 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CC(N(C1)CCCNC(C1(CC1)c1ccc(cc1)NS(c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4762 |
| logD: | 1.4743 |
| logSw: | -2.3329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.925 |
| InChI Key: | ZUEBQBNLNVXLLF-UHFFFAOYSA-N |