methyl 4,5-dimethyl-2-[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamido]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7388-0028 |
| Compound Name: | methyl 4,5-dimethyl-2-[2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(CC2C(Nc3cccc4cccc(c34)N2)=O)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7758 |
| logD: | 0.8028 |
| logSw: | -4.5592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.275 |
| InChI Key: | JCKCOVOIHXSXFR-INIZCTEOSA-N |