4,7-diamino-5-(3-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-5-(3-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-5-(3-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8588 |
| Compound Name: | 4,7-diamino-5-(3-fluorophenyl)-2-[(prop-2-yn-1-yl)sulfanyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C17 H12 F N5 O S |
| Smiles: | C#CCSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1cccc(c1)F)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4764 |
| logD: | 2.4762 |
| logSw: | -2.829 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.203 |
| InChI Key: | LWSTYEFXLCIYPR-LBPRGKRZSA-N |