8-(cyclopropanecarbonyl)-1-(5-methylthiophene-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(5-methylthiophene-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(5-methylthiophene-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0324 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(5-methylthiophene-2-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C24 H29 N3 O3 S |
| Smiles: | Cc1ccc(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)C(C2CC2)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8225 |
| logD: | 2.8225 |
| logSw: | -3.1371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.661 |
| InChI Key: | QPWWNZHADYFGTC-FQEVSTJZSA-N |