7-[(3-methylthiophen-2-yl)methyl]-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-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1861 |
| Compound Name: | 7-[(3-methylthiophen-2-yl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C18 H24 N4 O2 S |
| Smiles: | Cc1ccsc1CN1CCC2=C(CC1)N=C(NC2=O)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 1.6477 |
| logD: | 1.3778 |
| logSw: | -2.5253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.726 |
| InChI Key: | PMKDOZLVZQYJHA-UHFFFAOYSA-N |