ethyl 1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-0830 |
| Compound Name: | ethyl 1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 560.67 |
| Molecular Formula: | C30 H32 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(CC1)C(c1cccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0998 |
| logD: | 3.582 |
| logSw: | -4.1125 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.745 |
| InChI Key: | WSXWITZTARCRCL-HHHXNRCGSA-N |