2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | S529-0233 |
| Compound Name: | 2-(2-methyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[3-(pyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C18 H27 N5 O2 |
| Smiles: | Cc1ncc2C(N(CCCc2n1)CC(NCCCN1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3254 |
| logD: | -3.4159 |
| logSw: | -1.6821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.785 |
| InChI Key: | WKIXJRNHUONBSU-UHFFFAOYSA-N |