N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Compound characteristics
| Compound ID: | E228-2785 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C22 H19 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(CCCN1C(c2cccn2c2ccc(cc12)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7871 |
| logD: | 3.7865 |
| logSw: | -4.2023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.724 |
| InChI Key: | YIFVXCKCBXFVDP-UHFFFAOYSA-N |