2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
Chemical Structure Depiction of
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate
Compound characteristics
| Compound ID: | 6456-0057 |
| Compound Name: | 2-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-2-oxoethyl 3,5-dimethylpiperidine-1-carbodithioate |
| Molecular Weight: | 478.68 |
| Molecular Formula: | C26 H30 N4 O S2 |
| Smiles: | CC1CC(C)CN(C1)C(=S)SCC(NC1C(C(C)=Nc2ccccc2N=1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1093 |
| logD: | 5.1091 |
| logSw: | -4.9309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.017 |
| InChI Key: | KOIUJMIYGWCUPH-UHFFFAOYSA-N |