1-[(4-tert-butylphenyl)methyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
1-[(4-tert-butylphenyl)methyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
1-[(4-tert-butylphenyl)methyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D428-0173 |
| Compound Name: | 1-[(4-tert-butylphenyl)methyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 322.45 |
| Molecular Formula: | C21 H26 N2 O |
| Smiles: | CC1CC(N(Cc2ccc(cc2)C(C)(C)C)c2ccccc2N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2182 |
| logD: | 5.2181 |
| logSw: | -5.0109 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.4378 |
| InChI Key: | VOBWWXZMPLMYIR-HNNXBMFYSA-N |