2-(azepane-1-carbonyl)-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
2-(azepane-1-carbonyl)-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one
Compound characteristics
| Compound ID: | F210-0031 |
| Compound Name: | 2-(azepane-1-carbonyl)-1-methyl[1]benzopyrano[4,3-b]pyrrol-4(1H)-one |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C19 H20 N2 O3 |
| Smiles: | Cn1c(cc2C(=O)Oc3ccccc3c12)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1307 |
| logD: | 3.1307 |
| logSw: | -3.3927 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.541 |
| InChI Key: | XXSMBKGXRXSTIC-UHFFFAOYSA-N |