methyl 4-{2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
methyl 4-{2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F402-0372 |
| Compound Name: | methyl 4-{2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1ccc(cc1)C(=O)OC)=O)C(CC(c1cccs1)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9159 |
| logD: | 4.9157 |
| logSw: | -4.5999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.932 |
| InChI Key: | IHYMECJELUTSCO-UHFFFAOYSA-N |