methyl (4-oxo-5-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-oxo-5-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-oxo-5-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0083 |
| Compound Name: | methyl (4-oxo-5-{2-oxo-2-[(3-phenylpropyl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | COC(CC1=CC(N(CC(NCCCc2ccccc2)=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7474 |
| logD: | 2.3859 |
| logSw: | -3.2921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.468 |
| InChI Key: | VTQIRLSWIMWIFQ-UHFFFAOYSA-N |