N-(3,5-difluorophenyl)-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-(3,5-difluorophenyl)-4,7-dioxo-2-[(prop-2-en-1-yl)sulfanyl]-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
N-(3,5-difluorophenyl)-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: | J023-0453 |
| Compound Name: | N-(3,5-difluorophenyl)-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: | 392.38 |
| Molecular Formula: | C17 H14 F2 N4 O3 S |
| Smiles: | C=CCSC1NC(C2C(CC(NC=2N=1)=O)C(Nc1cc(cc(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5339 |
| logD: | 1.5174 |
| logSw: | -2.4356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.503 |
| InChI Key: | LCIVIMNSSQIRLR-NSHDSACASA-N |