2-(dimethylamino)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1695 |
| Compound Name: | 2-(dimethylamino)-7-[(3-methylthiophen-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | Cc1ccsc1CN1CCC2=C(CC1)N=C(NC2=O)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 1.6902 |
| logD: | 1.4053 |
| logSw: | -2.5555 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.17 |
| InChI Key: | DHHNCVMZQGCGCC-UHFFFAOYSA-N |