8-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1-oxa-4,8-diazacycloundecan-5-one
Chemical Structure Depiction of
8-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1-oxa-4,8-diazacycloundecan-5-one
8-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1-oxa-4,8-diazacycloundecan-5-one
Compound characteristics
| Compound ID: | S789-0097 |
| Compound Name: | 8-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-1-oxa-4,8-diazacycloundecan-5-one |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCCOCCNC(CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0185 |
| logD: | 1.0185 |
| logSw: | -1.9704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.039 |
| InChI Key: | IIEYYADXMJVTLF-UHFFFAOYSA-N |