Oprea1_067229
2-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-hydroxyethyl)amino]ethanol
Also Known As: Oprea1_067229|2,2'-((2,2-Dimethyl-5-morpholino-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)bis(ethan-1-ol)|2,2'-((2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)azanediyl)diethanol|2,2'-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]imino}diethanol
| Molecular Formula | C22H29N5O4S |
|---|---|
| Molecular Weight | 459.19403 g/mol |
| LogP | 1.7184 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19403 |
| Monoisotopic Mass | 459.19403 |
| Heavy Atoms | 32 |
| Complexity | 1122.6451 |
Chemical Identifiers
| CAS Number | 374914-75-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)N(CCO)CCO)N5CCOCC5)C |
Product Overview
Oprea1_067229 (CAS 374914-75-7), with molecular formula C22H29N5O4S and molecular weight 459.19403 g/mol. IUPAC: 2-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-(2-hydroxyethyl)amino]ethanol.