N-benzyl-4-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]-4-oxobutanamide
Chemical Structure Depiction of
N-benzyl-4-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]-4-oxobutanamide
N-benzyl-4-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]-4-oxobutanamide
Compound characteristics
| Compound ID: | C800-0566 |
| Compound Name: | N-benzyl-4-[4-(4-methoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]-4-oxobutanamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C30 H29 N3 O3 |
| Smiles: | COc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(CCC(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7172 |
| logD: | 4.7172 |
| logSw: | -4.3628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.238 |
| InChI Key: | XRLZUTAFDOPSOR-SSEXGKCCSA-N |