8-(methanesulfonyl)-1-(3-methoxypropanoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-(3-methoxypropanoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-(3-methoxypropanoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0040 |
| Compound Name: | 8-(methanesulfonyl)-1-(3-methoxypropanoyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C19 H29 N3 O5 S |
| Smiles: | COCCC(N1CCCN(C(CC(NCC1)=O)c1ccccc1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2741 |
| logD: | -0.2741 |
| logSw: | -2.0329 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.81 |
| InChI Key: | IWDOPAJWZQLYAM-KRWDZBQOSA-N |