3-bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
Chemical Structure Depiction of
3-bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
3-bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
Compound characteristics
| Compound ID: | 8755-0125 |
| Compound Name: | 3-bromo-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione |
| Molecular Weight: | 367.26 |
| Molecular Formula: | C15 H15 Br N2 O2 S |
| Smiles: | C1CCC2=Nc3c(C(N2CC1)=O)c1CCC(C(c1s3)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8154 |
| logD: | 2.8154 |
| logSw: | -2.9564 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.689 |
| InChI Key: | IVCYKDGSQAGJHW-VIFPVBQESA-N |