N-(3-methylphenyl)-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-(3-methylphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide
N-(3-methylphenyl)-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: | S529-0664 |
| Compound Name: | N-(3-methylphenyl)-2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]acetamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | Cc1cccc(c1)NC(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3688 |
| logD: | 2.3686 |
| logSw: | -2.7534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.816 |
| InChI Key: | PQYJYJDHAGMBRR-UHFFFAOYSA-N |