2-(morpholin-4-yl)-7-[(2,3,4-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(morpholin-4-yl)-7-[(2,3,4-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(morpholin-4-yl)-7-[(2,3,4-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
Compound ID: | S039-3085 |
Compound Name: | 2-(morpholin-4-yl)-7-[(2,3,4-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
Molecular Weight: | 430.5 |
Molecular Formula: | C22 H30 N4 O5 |
Smiles: | COc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCOCC2)c(c1OC)OC |
Stereo: | ACHIRAL |
logP: | 1.3088 |
logD: | -0.2519 |
logSw: | -2.1968 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.772 |
InChI Key: | LDRZAJNACRJFLW-UHFFFAOYSA-N |