N-{[4-(methylsulfanyl)phenyl]methyl}-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-2-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-2-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-2-carboxamide
Compound characteristics
| Compound ID: | F858-0218 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-1-(1-propyl-1H-benzotriazole-5-sulfonyl)piperidine-2-carboxamide |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C23 H29 N5 O3 S2 |
| Smiles: | CCCn1c2ccc(cc2nn1)S(N1CCCCC1C(NCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.412 |
| logD: | 3.412 |
| logSw: | -3.8506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.51 |
| InChI Key: | FLSVLFHWEDTWCO-QFIPXVFZSA-N |