methyl 4-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-4327 |
| Compound Name: | methyl 4-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2ccc(cc2)NS(c2ccc(cc2)C(C)(C)C)(=O)=O)NC(N1C)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5786 |
| logD: | 4.5664 |
| logSw: | -4.3618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.336 |
| InChI Key: | HGSGWQNVEATZOC-NRFANRHFSA-N |