3-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxy-N-methylbenzamide
Chemical Structure Depiction of
3-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxy-N-methylbenzamide
3-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxy-N-methylbenzamide
Compound characteristics
| Compound ID: | IB07-5151 |
| Compound Name: | 3-(5-amino-1,3,6-trioxo-3,3a,11b,11c-tetrahydro-6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-c]pyrrol-2(1H)-yl)-4-methoxy-N-methylbenzamide |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | CNC(c1ccc(c(c1)N1C(C2C3C(=C(N)SC2C1=O)C(=O)Oc1ccccc13)=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.42 |
| logD: | 0.42 |
| logSw: | -2.07 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 220.24 |
| InChI Key: | WTJWQWIBOHNIMW-UHFFFAOYSA-N |