N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[(pyridin-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[(pyridin-2-yl)methyl]thiourea
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[(pyridin-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C066-3505 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-[(pyridin-2-yl)methyl]thiourea |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCc1ccccn1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.1659 |
| logD: | 2.1657 |
| logSw: | -3.0912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.408 |
| InChI Key: | SGUMSRKTXJJKRV-UHFFFAOYSA-N |