1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-propylpiperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-propylpiperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-propylpiperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0365 |
| Compound Name: | 1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-propylpiperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.67 |
| Molecular Formula: | C26 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1428 |
| logD: | 3.2926 |
| logSw: | -3.8894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | QQNIJWFQGGWSSH-UHFFFAOYSA-N |