{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
Compound ID: | V002-1442 |
Compound Name: | {4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone |
Molecular Weight: | 467.55 |
Molecular Formula: | C23 H25 N5 O4 S |
Salt: | not_available |
Smiles: | COCc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0606 |
logD: | 3.7809 |
logSw: | -4.4076 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 82.472 |
InChI Key: | ISMTZVVYFBAOOM-UHFFFAOYSA-N |