N-(3-{(butan-2-yl)[(furan-2-yl)methyl]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-{(butan-2-yl)[(furan-2-yl)methyl]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-{(butan-2-yl)[(furan-2-yl)methyl]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: | E213-0600 |
| Compound Name: | N-(3-{(butan-2-yl)[(furan-2-yl)methyl]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: | 470.63 |
| Molecular Formula: | C25 H34 N4 O3 S |
| Smiles: | CCC(C)N(CCCNC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)Cc1ccco1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5684 |
| logD: | 2.1022 |
| logSw: | -3.6963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.807 |
| InChI Key: | ZEBWYIPWEMOMJO-KRWDZBQOSA-N |