N-(4-methoxyphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-(4-methoxyphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
Compound characteristics
| Compound ID: | S529-0672 |
| Compound Name: | N-(4-methoxyphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | COc1ccc(cc1)NC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9912 |
| logD: | 1.991 |
| logSw: | -2.3967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.36 |
| InChI Key: | UCSDYMWUESPJKO-UHFFFAOYSA-N |