N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0317 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)C(C2CC2)=O)c1)C(NCCc1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8379 |
| logD: | 2.8245 |
| logSw: | -3.2204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.677 |
| InChI Key: | GILYQVYIWUFRDC-UHFFFAOYSA-N |