2-imino-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-{3-[(propan-2-yl)oxy]propyl}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide--acetic acid (1/1)
Chemical Structure Depiction of
2-imino-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-{3-[(propan-2-yl)oxy]propyl}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide--acetic acid (1/1)
2-imino-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-{3-[(propan-2-yl)oxy]propyl}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | Y070-4741 |
| Compound Name: | 2-imino-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-{3-[(propan-2-yl)oxy]propyl}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide--acetic acid (1/1) |
| Molecular Weight: | 549.63 |
| Molecular Formula: | C27 H31 N5 O4 |
| Salt: | CH3COOH |
| Smiles: | CC(C)OCCCN1C2=C(C=C(C1=N)C(NCCc1ccc(cc1)OC)=O)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7376 |
| logD: | 1.7158 |
| logSw: | -2.1199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.519 |
| InChI Key: | IKNJAAZKUZOURB-UHFFFAOYSA-N |