(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetic acid
Chemical Structure Depiction of
(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetic acid
(5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetic acid
Compound characteristics
| Compound ID: | S529-0646 |
| Compound Name: | (5-oxo-2-phenyl-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl)acetic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C16 H15 N3 O3 |
| Smiles: | C1Cc2c(cnc(c3ccccc3)n2)C(N(C1)CC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4566 |
| logD: | -3.5235 |
| logSw: | -1.9592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.894 |
| InChI Key: | SXZTXCKVWQQNCN-UHFFFAOYSA-N |