N-(cyclohexylmethyl)-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-(cyclohexylmethyl)-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-(cyclohexylmethyl)-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0360 |
| Compound Name: | N-(cyclohexylmethyl)-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C20 H28 N4 O2 |
| Smiles: | C1CCC(CC1)CNC(CN1CCCc2c(cnc(C3CC3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3082 |
| logD: | 2.3081 |
| logSw: | -2.6114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.425 |
| InChI Key: | IOTVPQQYDIAOJV-UHFFFAOYSA-N |