methyl 3-[(4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3691 |
| Compound Name: | methyl 3-[(4-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 512.59 |
| Molecular Formula: | C28 H24 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCCc3c[nH]c4ccccc34)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3312 |
| logD: | 4.3299 |
| logSw: | -4.2244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.617 |
| InChI Key: | YBNWMBOZADONHU-UHFFFAOYSA-N |