N-(2,3-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-(2,3-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 3591-0103 |
| Compound Name: | N-(2,3-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1)=S)C(Nc1cccc(C)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7764 |
| logD: | 3.6609 |
| logSw: | -3.9497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.449 |
| InChI Key: | XRCRPPBXPVPUKC-GOSISDBHSA-N |