2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]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-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide
2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide
Compound characteristics
| Compound ID: | S529-0394 |
| Compound Name: | 2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]acetamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | C1Cc2c(cnc(C3CC3)n2)C(N(C1)CC(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8113 |
| logD: | 0.6072 |
| logSw: | -2.4791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.719 |
| InChI Key: | ORZDHWOLWUBJIE-UHFFFAOYSA-N |