Oprea1_650036
14-benzyl-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: Oprea1_650036|Oprea1_863638|BAS 02747754|AL-281/15328214|SR-01000462195-1|3-benzyl-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one|3-benzyl-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one|8,8-dimethyl-3-benzyl-3,7,8-trihydro-10H-pyrano[3'',4''-5',6']pyridino[3',2'-4 ,5]thiopheno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.1198 g/mol |
| LogP | 3.9058 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1198 |
| Monoisotopic Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1225.1217 |
Chemical Identifiers
| CAS Number | 354550-77-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=O)N(C=N4)CC5=CC=CC=C5)C |
Product Overview
Oprea1_650036 (CAS 354550-77-9), with molecular formula C21H19N3O2S and molecular weight 377.1198 g/mol. IUPAC: 14-benzyl-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.