N-{3-[benzyl(propan-2-yl)amino]propyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0598 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | CC(C)N(CCCNC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7302 |
| logD: | 1.7839 |
| logSw: | -4.0281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.474 |
| InChI Key: | RRNXDAIAMJGYFW-UHFFFAOYSA-N |