1-[(benzyloxy)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(benzyloxy)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(benzyloxy)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0131 |
| Compound Name: | 1-[(benzyloxy)acetyl]-8-(methanesulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | CS(N1CCCN(CCNC(CC1c1ccccc1)=O)C(COCc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0813 |
| logD: | 1.0813 |
| logSw: | -2.1757 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.63 |
| InChI Key: | SFDXTBWNYZZVKP-QFIPXVFZSA-N |