methyl 8-butyl-4-methyl-5-oxo-3-phenyl-2-sulfanylidene-2,3,5,8-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
methyl 8-butyl-4-methyl-5-oxo-3-phenyl-2-sulfanylidene-2,3,5,8-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
methyl 8-butyl-4-methyl-5-oxo-3-phenyl-2-sulfanylidene-2,3,5,8-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | 8013-3593 |
| Compound Name: | methyl 8-butyl-4-methyl-5-oxo-3-phenyl-2-sulfanylidene-2,3,5,8-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CCCCN1C(=CC(C2=C(C)N(C(N=C12)=S)c1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1145 |
| logD: | 3.0778 |
| logSw: | -3.1787 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.57 |
| InChI Key: | KYYQMKLODQAOLJ-UHFFFAOYSA-N |