1-[1-(2-methoxyethyl)-1H-benzotriazole-5-sulfonyl]-N-{[4-(methylsulfanyl)phenyl]methyl}prolinamide
Chemical Structure Depiction of
1-[1-(2-methoxyethyl)-1H-benzotriazole-5-sulfonyl]-N-{[4-(methylsulfanyl)phenyl]methyl}prolinamide
1-[1-(2-methoxyethyl)-1H-benzotriazole-5-sulfonyl]-N-{[4-(methylsulfanyl)phenyl]methyl}prolinamide
Compound characteristics
| Compound ID: | F857-0095 |
| Compound Name: | 1-[1-(2-methoxyethyl)-1H-benzotriazole-5-sulfonyl]-N-{[4-(methylsulfanyl)phenyl]methyl}prolinamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C22 H27 N5 O4 S2 |
| Smiles: | COCCn1c2ccc(cc2nn1)S(N1CCCC1C(NCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9064 |
| logD: | 1.9064 |
| logSw: | -2.6776 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.218 |
| InChI Key: | DSMQQBOTBQYZMP-NRFANRHFSA-N |