methyl 2-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
methyl 2-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F402-0036 |
| Compound Name: | methyl 2-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C(CC(c2cccs2)=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6123 |
| logD: | 3.5859 |
| logSw: | -3.9228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.234 |
| InChI Key: | IQBNPNMLPFRMED-UHFFFAOYSA-N |