2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | M060-0454 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one |
| Molecular Weight: | 469.36 |
| Molecular Formula: | C21 H17 Br N4 O2 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3616 |
| logD: | 4.3606 |
| logSw: | -4.2775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.508 |
| InChI Key: | UQOHJIQTCQHMCR-UHFFFAOYSA-N |