2-(7,8-dimethoxy-2,2,11-trioxo-2,3,3a,12a-tetrahydro-1H-2lambda~6~-thieno[3'',4'':4',5'][1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-10(11H)-yl)-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(7,8-dimethoxy-2,2,11-trioxo-2,3,3a,12a-tetrahydro-1H-2lambda~6~-thieno[3'',4'':4',5'][1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-10(11H)-yl)-N-(3-methoxyphenyl)acetamide
2-(7,8-dimethoxy-2,2,11-trioxo-2,3,3a,12a-tetrahydro-1H-2lambda~6~-thieno[3'',4'':4',5'][1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-10(11H)-yl)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8017-0413 |
| Compound Name: | 2-(7,8-dimethoxy-2,2,11-trioxo-2,3,3a,12a-tetrahydro-1H-2lambda~6~-thieno[3'',4'':4',5'][1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-10(11H)-yl)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 556.62 |
| Molecular Formula: | C25 H24 N4 O7 S2 |
| Smiles: | COc1cccc(c1)NC(Cn1c2C(N3C4CS(CC4SC3=Nc2c2cc(c(cc12)OC)OC)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8784 |
| logD: | 1.8783 |
| logSw: | -2.9027 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.558 |
| InChI Key: | HTAQZBISPUILAT-UHFFFAOYSA-N |