methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C117-0718 |
| Compound Name: | methyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-4-oxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CC1=C(C(C2=C(N1)N=C(NC2=O)SCC=C)c1ccc(cc1)C(=O)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8382 |
| logD: | 1.1743 |
| logSw: | -3.3182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.402 |
| InChI Key: | BMTRXELWISAPCL-OAHLLOKOSA-N |