4-(2-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(2-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G811-0567 |
| Compound Name: | 4-(2-{1-[4-(methylsulfanyl)phenyl]-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C28 H25 N3 O3 S |
| Smiles: | CSc1ccc(cc1)C1c2c(CCN1C(CN1C(COc3ccccc13)=O)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6124 |
| logD: | 4.6124 |
| logSw: | -4.2784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.646 |
| InChI Key: | UCJFUJBNUNSUID-MUUNZHRXSA-N |