N-[2-(1H-pyrrol-1-yl)ethyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-[2-(1H-pyrrol-1-yl)ethyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
N-[2-(1H-pyrrol-1-yl)ethyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y043-7984 |
| Compound Name: | N-[2-(1H-pyrrol-1-yl)ethyl]-2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C23 H26 N2 O5 |
| Smiles: | CC1=CC(=O)Oc2c3CCC(C)(C)Oc3cc(c12)OCC(NCCn1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.007 |
| logD: | 3.007 |
| logSw: | -3.3071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.351 |
| InChI Key: | CRQOHPXCVZAUIT-UHFFFAOYSA-N |