N-[(4-chlorophenyl)methyl]-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide
Compound characteristics
| Compound ID: | S529-0322 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(2-cyclopropyl-5-oxo-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetamide |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C20 H21 Cl N4 O2 |
| Smiles: | C1Cc2c(cnc(C3CC3)n2)C(N(C1)CC(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3129 |
| logD: | 2.3128 |
| logSw: | -3.4544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.233 |
| InChI Key: | MATLLQUQUNFRJO-UHFFFAOYSA-N |