N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidin-4-yl}-N'-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidin-4-yl}-N'-(prop-2-en-1-yl)urea
N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidin-4-yl}-N'-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | T377-0078 |
| Compound Name: | N-{1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidin-4-yl}-N'-(prop-2-en-1-yl)urea |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1N1CCC(CC1)NC(NCC=C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9183 |
| logD: | 2.9183 |
| logSw: | -3.4328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.724 |
| InChI Key: | PTNBHWGNPOKZKG-UHFFFAOYSA-N |