3-(thiomorpholine-4-carbonyl)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-(thiomorpholine-4-carbonyl)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-(thiomorpholine-4-carbonyl)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | IB08-7445 |
| Compound Name: | 3-(thiomorpholine-4-carbonyl)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(N1CCSCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2 |
| logD: | 1.2 |
| logSw: | -2.6 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 140.15 |
| InChI Key: | ZMENNRVDBZUSNA-UHFFFAOYSA-N |