N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0520 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2122 |
| logD: | 3.2053 |
| logSw: | -3.5912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.094 |
| InChI Key: | IJZNPDZMWUWDOE-UHFFFAOYSA-N |