1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6794 |
| Compound Name: | 1-cyclopentyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 487.45 |
| Molecular Formula: | C21 H18 F5 N3 O3 S |
| Smiles: | COc1cc(ccc1OC(F)F)c1cc(c2C(N=C(N(C3CCCC3)c2n1)S)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.8406 |
| logD: | 1.7502 |
| logSw: | -4.8971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.823 |
| InChI Key: | MIEOSULLGYJKON-UHFFFAOYSA-N |