1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one
1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S970-0441 |
| Compound Name: | 1-{(2S)-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-4,4-difluoropyrrolidin-1-yl}-2-(2,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 406.43 |
| Molecular Formula: | C20 H24 F2 N4 O3 |
| Smiles: | COc1ccc(c(CC(N2CC(C[C@H]2c2nncn2CC2CC2)(F)F)=O)c1)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.4204 |
| logD: | 2.4204 |
| logSw: | -2.7957 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.135 |
| InChI Key: | NSEMLTYYHADCCP-MRXNPFEDSA-N |