butyl 4-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]benzoate
butyl 4-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C243-0404 |
| Compound Name: | butyl 4-[(9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]benzoate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(c1cc2C(N3C=CC=C(C)C3=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9347 |
| logD: | 4.9226 |
| logSw: | -4.7314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.547 |
| InChI Key: | VHFPCHCXPFXUBV-UHFFFAOYSA-N |