1-(furan-2-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(furan-2-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(furan-2-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0077 |
| Compound Name: | 1-(furan-2-carbonyl)-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(c1ccco1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6697 |
| logD: | 0.6697 |
| logSw: | -2.1361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.302 |
| InChI Key: | JXOULLJBNQUNBQ-KRWDZBQOSA-N |