ethyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
ethyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E213-0534 |
| Compound Name: | ethyl 4-[(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)amino]benzoate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7668 |
| logD: | 3.7266 |
| logSw: | -4.1044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.467 |
| InChI Key: | JERRDFHBBVCNLR-UHFFFAOYSA-N |