2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0333 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(3-methylphenyl)methyl]acetamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C21 H24 N4 O2 |
| Smiles: | Cc1cccc(CNC(CN2CCCc3c(cnc(C4CC4)n3)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4067 |
| logD: | 2.4066 |
| logSw: | -2.8289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.233 |
| InChI Key: | MEXASDKUNMVTAM-UHFFFAOYSA-N |