7-acetyl-3-(3-chloro-4-methylphenyl)-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-acetyl-3-(3-chloro-4-methylphenyl)-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
7-acetyl-3-(3-chloro-4-methylphenyl)-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C200-3675 |
| Compound Name: | 7-acetyl-3-(3-chloro-4-methylphenyl)-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 476.06 |
| Molecular Formula: | C23 H26 Cl N3 O2 S2 |
| Smiles: | CC(C)CCSC1=Nc2c(C(N1c1ccc(C)c(c1)[Cl])=O)c1CCN(Cc1s2)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4598 |
| logD: | 5.4598 |
| logSw: | -6.251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.383 |
| InChI Key: | NOMILPKUVBCRIW-UHFFFAOYSA-N |