2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C202-1586 |
| Compound Name: | 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(2-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Salt: | HCl |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCCN(C)C)c2ccccc2OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6821 |
| logD: | 2.6821 |
| logSw: | -3.1519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.118 |
| InChI Key: | TTZHBLXYVBJWNV-SFHVURJKSA-N |