8-(methanesulfonyl)-1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0156 |
| Compound Name: | 8-(methanesulfonyl)-1-[(5-methylthiophen-2-yl)methyl]-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 435.61 |
| Molecular Formula: | C21 H29 N3 O3 S2 |
| Smiles: | Cc1ccc(CN2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3667 |
| logD: | 1.7604 |
| logSw: | -2.848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.826 |
| InChI Key: | UNNLWYDRVMYGGX-FQEVSTJZSA-N |