2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | P580-0940 |
| Compound Name: | 2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CC(c1ccc(cc1)OC)NC(Cn1c(C)cc2c1C(N1C(=N2)SC(C)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3075 |
| logD: | 2.3071 |
| logSw: | -2.8503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.716 |
| InChI Key: | QNDZQLMUQXTZHJ-LBPRGKRZSA-N |