2-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G769-0966 |
| Compound Name: | 2-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CCOc1ccc(CN(CC2=CC(N3C4CCCCC=4SC3=N2)=O)Cc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4893 |
| logD: | 4.4581 |
| logSw: | -4.2283 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.939 |
| InChI Key: | MQTWTJULVKTGBS-UHFFFAOYSA-N |