methyl 7-cyclopropyl-3-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 7-cyclopropyl-3-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 7-cyclopropyl-3-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-4073 |
| Compound Name: | methyl 7-cyclopropyl-3-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 466.45 |
| Molecular Formula: | C23 H22 N4 O7 |
| Smiles: | CN1C(N(CC(Nc2ccc3c(c2)OCCO3)=O)C(c2c(cc(C3CC3)nc12)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0093 |
| logD: | 2.0092 |
| logSw: | -3.0427 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.601 |
| InChI Key: | ZQLCXORILKSYDW-UHFFFAOYSA-N |