2-methoxyethyl 4-[4-(3,5-dinitrobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-[4-(3,5-dinitrobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 4-[4-(3,5-dinitrobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V013-2920 |
| Compound Name: | 2-methoxyethyl 4-[4-(3,5-dinitrobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 529.53 |
| Molecular Formula: | C23 H23 N5 O8 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)NC(N1C)=S)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3199 |
| logD: | 2.3107 |
| logSw: | -3.0032 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.757 |
| InChI Key: | UTTVMNBVOJAHDU-HXUWFJFHSA-N |