8-(methanesulfonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0016 |
| Compound Name: | 8-(methanesulfonyl)-7-phenyl-1-(thiophene-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C20 H25 N3 O4 S2 |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(c1cccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3892 |
| logD: | 1.3892 |
| logSw: | -2.2454 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.742 |
| InChI Key: | FZNPNTLNLFJCFQ-KRWDZBQOSA-N |