N-tert-butyl-1,6-dimethyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-tert-butyl-1,6-dimethyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-tert-butyl-1,6-dimethyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V023-1523 |
| Compound Name: | N-tert-butyl-1,6-dimethyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1C)=S)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5287 |
| logD: | 2.2094 |
| logSw: | -3.0204 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.403 |
| InChI Key: | UIJWYRRHBFPONU-CQSZACIVSA-N |