N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(6-ethoxy-1,3-benzothiazol-2-yl)urea
Chemical Structure Depiction of
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(6-ethoxy-1,3-benzothiazol-2-yl)urea
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(6-ethoxy-1,3-benzothiazol-2-yl)urea
Compound characteristics
| Compound ID: | C791-0605 |
| Compound Name: | N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(6-ethoxy-1,3-benzothiazol-2-yl)urea |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(Nc1c(C)c3C(N4CCC(C)CCC4=Nc3s1)=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2108 |
| logD: | 5.2102 |
| logSw: | -5.1418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.586 |
| InChI Key: | IDJWGVAOEYGBQH-GFCCVEGCSA-N |