2-(dimethylamino)-7-(1-methyl-1H-pyrazole-5-carbonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-(1-methyl-1H-pyrazole-5-carbonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-(1-methyl-1H-pyrazole-5-carbonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S060-0109 |
| Compound Name: | 2-(dimethylamino)-7-(1-methyl-1H-pyrazole-5-carbonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C15 H20 N6 O2 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)C(c1ccnn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8344 |
| logD: | -0.8516 |
| logSw: | -1.5546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.717 |
| InChI Key: | XKDIWDQZGOTYJS-UHFFFAOYSA-N |