2-methoxyethyl 1,6-dimethyl-2-sulfanylidene-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 1,6-dimethyl-2-sulfanylidene-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 1,6-dimethyl-2-sulfanylidene-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-9730 |
| Compound Name: | 2-methoxyethyl 1,6-dimethyl-2-sulfanylidene-4-{3-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)NC(C23CC4CC(CC(C4)C3)C2)=O)NC(N1C)=S)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2622 |
| logD: | 4.2619 |
| logSw: | -4.3728 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.027 |
| InChI Key: | IEELQPMGHXJELK-ZTYFUTMOSA-N |