2-(morpholin-4-yl)-7-[(2,4,5-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-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(morpholin-4-yl)-7-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3139 |
| Compound Name: | 2-(morpholin-4-yl)-7-[(2,4,5-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: | COc1cc(c(cc1CN1CCC2=C(CC1)N=C(NC2=O)N1CCOCC1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.0933 |
| logD: | -0.4674 |
| logSw: | -2.2447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.599 |
| InChI Key: | YDZVRAKLTJOURS-UHFFFAOYSA-N |