2-methyl-4-oxo-N-[2-(thiophen-2-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-methyl-4-oxo-N-[2-(thiophen-2-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-methyl-4-oxo-N-[2-(thiophen-2-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0039 |
| Compound Name: | 2-methyl-4-oxo-N-[2-(thiophen-2-yl)ethyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CC1NC(C2CCC(CCC=2N=1)C(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3194 |
| logD: | 1.3175 |
| logSw: | -2.1973 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.41 |
| InChI Key: | CXVHGHGRPBPUDP-LBPRGKRZSA-N |