methyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0941 |
| Compound Name: | methyl {4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 401.5 |
| Molecular Formula: | C19 H19 N3 O3 S2 |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9812 |
| logD: | 2.9812 |
| logSw: | -3.4957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.244 |
| InChI Key: | JBAZLNZWOWKXLR-UHFFFAOYSA-N |