5-(4-bromophenyl)-5-hydroxy-1,3-dimethyl-5,11-dihydropyrimido[5,4-e][1,3]thiazolo[3,2-a][1,3]diazepine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-5-hydroxy-1,3-dimethyl-5,11-dihydropyrimido[5,4-e][1,3]thiazolo[3,2-a][1,3]diazepine-2,4(1H,3H)-dione
5-(4-bromophenyl)-5-hydroxy-1,3-dimethyl-5,11-dihydropyrimido[5,4-e][1,3]thiazolo[3,2-a][1,3]diazepine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8017-6447 |
| Compound Name: | 5-(4-bromophenyl)-5-hydroxy-1,3-dimethyl-5,11-dihydropyrimido[5,4-e][1,3]thiazolo[3,2-a][1,3]diazepine-2,4(1H,3H)-dione |
| Molecular Weight: | 435.3 |
| Molecular Formula: | C17 H15 Br N4 O3 S |
| Smiles: | CN1C2CN3C=CSC3=NC(C=2C(N(C)C1=O)=O)(c1ccc(cc1)[Br])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2689 |
| logD: | 2.2689 |
| logSw: | -2.5389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.998 |
| InChI Key: | BBUIUGSIUPUCCT-KRWDZBQOSA-N |