ethyl 4-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
ethyl 4-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F402-0039 |
| Compound Name: | ethyl 4-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(CC(c2cccs2)=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4891 |
| logD: | 4.4889 |
| logSw: | -4.1468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.511 |
| InChI Key: | GDHXAMNHXMOTGN-UHFFFAOYSA-N |