methyl 2-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0567 |
| Compound Name: | methyl 2-[(5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 488.03 |
| Molecular Formula: | C23 H22 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7038 |
| logD: | 0.8573 |
| logSw: | -6.1418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.532 |
| InChI Key: | NGRFJEWNNWZRGA-UHFFFAOYSA-N |