4-butyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylic acid
Chemical Structure Depiction of
4-butyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylic acid
4-butyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylic acid
Compound characteristics
| Compound ID: | Y042-2965 |
| Compound Name: | 4-butyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxylic acid |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C16 H18 N2 O4 |
| Smiles: | CCCCN1C(c2ccccc2N2C(CCC12C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2794 |
| logD: | -3.1956 |
| logSw: | -2.2181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.769 |
| InChI Key: | HSFOCLWWAFICIJ-MRXNPFEDSA-N |