8-(methanesulfonyl)-7-phenyl-1-propanoyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-7-phenyl-1-propanoyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-7-phenyl-1-propanoyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0089 |
| Compound Name: | 8-(methanesulfonyl)-7-phenyl-1-propanoyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C18 H27 N3 O4 S |
| Smiles: | CCC(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4647 |
| logD: | 0.4647 |
| logSw: | -2.2341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.468 |
| InChI Key: | VPNIKWKOAZYXKS-INIZCTEOSA-N |