3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | S979-0386 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[(3S)-3-methyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | Cc1cc(C)n(CCC(N2Cc3cc(ccc3OC[C@@H]2C)C(N2CCCC2)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 1.71 |
| logD: | 1.7098 |
| logSw: | -2.1376 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.086 |
| InChI Key: | ZDGDQOOHOURCPA-GOSISDBHSA-N |