N-(4-bromophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(4-bromophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | J023-0157 |
| Compound Name: | N-(4-bromophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide |
| Molecular Weight: | 435.3 |
| Molecular Formula: | C17 H15 Br N4 O3 S |
| Smiles: | C=CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9055 |
| logD: | 1.8959 |
| logSw: | -2.6385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | USPZACHAZYEORY-LLVKDONJSA-N |