2-(morpholin-4-yl)-7-(4-propylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(morpholin-4-yl)-7-(4-propylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(morpholin-4-yl)-7-(4-propylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1603 |
| Compound Name: | 2-(morpholin-4-yl)-7-(4-propylbenzene-1-sulfonyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCCc1ccc(cc1)S(N1CCC2=C(CC1)N=C(NC2=O)N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5149 |
| logD: | 2.5127 |
| logSw: | -2.8751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.686 |
| InChI Key: | KKWJMJQGYURBNC-UHFFFAOYSA-N |