2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(thiophen-2-yl)methyl]acetamide
2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0590 |
| Compound Name: | 2-(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | C1Cc2c(cnc(c3ccccc3)n2)C(N(C1)CC(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7056 |
| logD: | 2.7056 |
| logSw: | -3.2476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | CZBGCDPBJXZLND-UHFFFAOYSA-N |