2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1965-0030 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 1,6-dimethyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C18 H21 N3 O7 S |
| Smiles: | CCSCCOC(C1C(c2cc3c(cc2[N+]([O-])=O)OCO3)NC(N(C)C=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.309 |
| logD: | 2.3088 |
| logSw: | -2.7691 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.919 |
| InChI Key: | ZWWFBFIDJZUZCM-INIZCTEOSA-N |