C28H31N5O3S2
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)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: 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)thio)-N-phenethylacetamide|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]sulfanyl}-N-(2-phenylethyl)acetamide
| Molecular Formula | C28H31N5O3S2 |
|---|---|
| Molecular Weight | 549.1868 g/mol |
| LogP | 4.3784 |
| Topological Polar Surface Area | 89.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.1868 |
| Monoisotopic Mass | 549.1868 |
| Heavy Atoms | 38 |
| Complexity | 1468.1586 |
Chemical Identifiers
| CAS Number | 836633-32-0 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC(=O)NCCC5=CC=CC=C5)N6CCOCC6)C |
Product Overview
C28H31N5O3S2 (CAS 836633-32-0), with molecular formula C28H31N5O3S2 and molecular weight 549.1868 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)sulfanyl]-N-(2-phenylethyl)acetamide.
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