3-bromo-4-[3-(cyclohexylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Chemical Structure Depiction of
3-bromo-4-[3-(cyclohexylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
3-bromo-4-[3-(cyclohexylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
Compound characteristics
| Compound ID: | 8755-0374 |
| Compound Name: | 3-bromo-4-[3-(cyclohexylamino)-2-hydroxypropoxy]-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one |
| Molecular Weight: | 520.49 |
| Molecular Formula: | C24 H30 Br N3 O3 S |
| Smiles: | C1CCC(CC1)NCC(COc1c(ccc2c3C(N4CCCCCC4=Nc3sc12)=O)[Br])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5944 |
| logD: | 2.4356 |
| logSw: | -4.3693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.924 |
| InChI Key: | UFECAQZQZOEMHD-INIZCTEOSA-N |