7-acetyl-3-(3-chloro-2-methylphenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-acetyl-3-(3-chloro-2-methylphenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
7-acetyl-3-(3-chloro-2-methylphenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C728-0734 |
| Compound Name: | 7-acetyl-3-(3-chloro-2-methylphenyl)-1-(prop-2-en-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC=C)c3sc2C1)=O)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6523 |
| logD: | 3.6523 |
| logSw: | -4.2508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.106 |
| InChI Key: | GTAHHOIIVNGTIN-UHFFFAOYSA-N |