N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0587 |
| Compound Name: | N-[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-(piperazin-1-yl)phenyl]-4-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C26 H37 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCc1ccc(cc1)S(Nc1cc(ccc1N1CCNCC1)C(N1CCCN(C)CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6901 |
| logD: | 2.6901 |
| logSw: | -3.3496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.758 |
| InChI Key: | JZZFUGRLGQUSEG-UHFFFAOYSA-N |