2-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Chemical Structure Depiction of
2-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0462 |
| Compound Name: | 2-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C23 H32 N4 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2065 |
| logD: | 3.0502 |
| logSw: | -3.2716 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.364 |
| InChI Key: | QCQISSWIORIUBJ-UHFFFAOYSA-N |