7-(3,5-difluorobenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-(3,5-difluorobenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-(3,5-difluorobenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1605 |
| Compound Name: | 7-(3,5-difluorobenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 426.44 |
| Molecular Formula: | C18 H20 F2 N4 O4 S |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCOCC1)=O)S(c1cc(cc(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3584 |
| logSw: | -2.4783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.686 |
| InChI Key: | ZHQHPLQIJYLBLK-UHFFFAOYSA-N |