cyclooctyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cyclooctyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cyclooctyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2251-3069 |
| Compound Name: | cyclooctyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C21 H27 Cl N2 O5 |
| Smiles: | CC1=C(C(c2cc(c(c(c2)[Cl])O)OC)NC(N1)=O)C(=O)OC1CCCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4901 |
| logD: | 4.3399 |
| logSw: | -4.3167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.216 |
| InChI Key: | XTOCBSAOKDIBAF-SFHVURJKSA-N |