1-[(3-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
1-[(3-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0536 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 465.01 |
| Molecular Formula: | C26 H25 Cl N2 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(Cc2cccc(c2)[Cl])C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3406 |
| logD: | 7.3406 |
| logSw: | -6.4063 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3586 |
| InChI Key: | RZRUBAAVTBWSRF-UHFFFAOYSA-N |