3-[2-(4-chlorophenyl)-2-oxoethyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-2-oxoethyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(4-chlorophenyl)-2-oxoethyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F081-0768 |
| Compound Name: | 3-[2-(4-chlorophenyl)-2-oxoethyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(C(N(CC(c4ccc(cc4)[Cl])=O)C=N3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 3.8803 |
| logD: | 3.8803 |
| logSw: | -4.4509 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.173 |
| InChI Key: | BXFLCPYDXGYRKC-UHFFFAOYSA-N |