5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
Chemical Structure Depiction of
5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide
Compound characteristics
Compound ID: | C200-2030 |
Compound Name: | 5-(4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[(propan-2-yl)oxy]propyl}pentanamide |
Molecular Weight: | 433.59 |
Molecular Formula: | C21 H27 N3 O3 S2 |
Smiles: | CC(C)OCCCNC(CCCCN1C(c2c(c3ccccc3s2)NC1=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4147 |
logD: | 2.4142 |
logSw: | -2.8802 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.577 |
InChI Key: | ZYJJGQOMRVTPAQ-UHFFFAOYSA-N |