N-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
N-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | S555-1134 |
| Compound Name: | N-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N'-ethylurea |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | CCNC(Nc1ccc2c(CN(CCO2)C(CCn2c(C)cc(C)n2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2752 |
| logD: | 1.275 |
| logSw: | -2.2122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.811 |
| InChI Key: | ZYHFRHPNOVHRDO-UHFFFAOYSA-N |