ethyl 4-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
ethyl 4-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G895-0354 |
| Compound Name: | ethyl 4-{[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(C)c2c(ncnc2s1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.67 |
| logD: | 5.6578 |
| logSw: | -5.5585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.714 |
| InChI Key: | VVNVLMQWIAWHST-UHFFFAOYSA-N |