7-(3,4-dimethylbenzene-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-(3,4-dimethylbenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-(3,4-dimethylbenzene-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: | S039-1589 |
| Compound Name: | 7-(3,4-dimethylbenzene-1-sulfonyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | Cc1ccc(cc1C)S(N1CCC2=C(CC1)N=C(NC2=O)N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1346 |
| logD: | 2.1324 |
| logSw: | -2.8927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.686 |
| InChI Key: | IQPFGTFFKBLPSO-UHFFFAOYSA-N |