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 |