8-(cyclopropanecarbonyl)-1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(cyclopropanecarbonyl)-1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(cyclopropanecarbonyl)-1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0549 |
| Compound Name: | 8-(cyclopropanecarbonyl)-1-(3-methoxybenzene-1-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | COc1cccc(c1)S(N1CCCN(C(CC(NCC1)=O)c1ccccc1)C(C1CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3598 |
| logD: | 2.3598 |
| logSw: | -2.977 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.249 |
| InChI Key: | DJSNDRDVVWIYJW-HSZRJFAPSA-N |