N-butyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-butyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0314 |
| Compound Name: | N-butyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(C1CCN(CC1)C(c1ccc(cc1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7295 |
| logD: | 3.8794 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | BTMQCPDEUPKSEP-UHFFFAOYSA-N |