N-(5-ethyl-1,3,4-thiadiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0605 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CCc1nnc(NC(c2ccc3C(N4CCCCCC4=Nc3c2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4729 |
| logD: | 1.5051 |
| logSw: | -3.1166 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.851 |
| InChI Key: | ITOZBPFDNLMDCT-UHFFFAOYSA-N |