N-(3-methylbutyl)-1-{4-[(4-propylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-1-{4-[(4-propylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-1-{4-[(4-propylbenzene-1-sulfonyl)amino]benzoyl}piperidine-4-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L445-0015 |
| Compound Name: | N-(3-methylbutyl)-1-{4-[(4-propylbenzene-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: | CCCc1ccc(cc1)S(Nc1ccc(cc1)C(N1CCC(CC1)C(NCCC(C)C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5542 |
| logD: | 3.7041 |
| logSw: | -4.1146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.063 |
| InChI Key: | LDNIOLVATZJYJD-UHFFFAOYSA-N |