N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | Y510-4880 |
| Compound Name: | N-benzyl-4-[3-bromo-4-(cyclopentyloxy)-5-methoxyphenyl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 530.48 |
| Molecular Formula: | C25 H28 Br N3 O3 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)[Br])OC2CCCC2)OC)NC(N1)=S)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5042 |
| logD: | 4.5037 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.711 |
| InChI Key: | YBMUJWXSBQDJHV-QFIPXVFZSA-N |