ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V008-9479 |
| Compound Name: | ethyl 1-methyl-6-{[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 568.74 |
| Molecular Formula: | C30 H40 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.486 |
| logD: | 4.0083 |
| logSw: | -3.9497 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.372 |
| InChI Key: | NMSUNCQIZFZGQP-MUUNZHRXSA-N |