7-(5-fluoro-2-methylbenzene-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-(5-fluoro-2-methylbenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-(5-fluoro-2-methylbenzene-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: | S039-1582 |
| Compound Name: | 7-(5-fluoro-2-methylbenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C19 H23 F N4 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCC2=C(CC1)N=C(NC2=O)N1CCOCC1)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.5066 |
| logD: | 1.5044 |
| logSw: | -2.5445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.686 |
| InChI Key: | VQISLBXBGWFYPE-UHFFFAOYSA-N |