3-benzyl-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0422 |
| Compound Name: | 3-benzyl-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | Cc1c2C(N(Cc3ccccc3)C(N(CC(NCCC3CCCCC=3)=O)c2sc1C(N(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9761 |
| logD: | 2.9761 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.224 |
| InChI Key: | RTTQOVGLRQHBDR-UHFFFAOYSA-N |