5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S786-0087 |
| Compound Name: | 5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 397.52 |
| Molecular Formula: | C23 H31 N3 O3 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCCC(CCNC(CC1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3587 |
| logD: | 1.3587 |
| logSw: | -1.9937 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.245 |
| InChI Key: | BFVIMSLZQUPZPQ-IBGZPJMESA-N |