methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F402-0092 |
| Compound Name: | methyl 3-{2-[2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C21 H17 N3 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(CN1C(CC(c2cccs2)=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3061 |
| logD: | 3.2515 |
| logSw: | -3.6964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.252 |
| InChI Key: | GMCWKLGSYWNQPB-UHFFFAOYSA-N |