1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0186 |
| Compound Name: | 1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}-N-(prop-2-en-1-yl)piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.65 |
| Molecular Formula: | C26 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1ccc(cc1)C(N1CCC(CC1)C(NCC=C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8318 |
| logD: | 2.9817 |
| logSw: | -3.7924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | PSWSDSYOWWQKJF-UHFFFAOYSA-N |