N-(3-chloro-4-methoxyphenyl)-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
N-(3-chloro-4-methoxyphenyl)-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | F796-0437 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-(7,8-dimethoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)acetamide |
| Molecular Weight: | 442.86 |
| Molecular Formula: | C21 H19 Cl N4 O5 |
| Smiles: | COc1cc2c3c(C(N(CC(Nc4ccc(c(c4)[Cl])OC)=O)C=N3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2372 |
| logD: | 2.237 |
| logSw: | -3.2224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.338 |
| InChI Key: | NDIQXWAHQRAPOI-UHFFFAOYSA-N |