5-(2,3-dichlorophenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Chemical Structure Depiction of
5-(2,3-dichlorophenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
5-(2,3-dichlorophenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Compound characteristics
| Compound ID: | 8010-0538 |
| Compound Name: | 5-(2,3-dichlorophenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile |
| Molecular Weight: | 510.44 |
| Molecular Formula: | C26 H21 Cl2 N3 O2 S |
| Smiles: | C1CCc2c3C(NC4=C(C#N)C(C5=C(CCCC5=O)N4c3sc2CC1)c1cccc(c1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9476 |
| logD: | 5.9474 |
| logSw: | -6.5504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.941 |
| InChI Key: | ATBCCWUNPJGMBR-HXUWFJFHSA-N |